5-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-6-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-one; 5-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-6-ethyl-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one

Systemtic Name: 5-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-6-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-one; 5-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-6-ethyl-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one Openeye Name: 5-[4-(difluoromethoxy)-3-methoxy-phenyl]-6-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-one; 5-[4-(difluoromethoxy)-3-methoxy-phenyl]-6-ethyl-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one CAS Name: 5-[4-(difluoromethoxy)-3-methoxyphenyl]-6-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-one; 5-[4-(difluoromethoxy)-3-methoxyphenyl]-6-ethyl-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one IUPAC Name: 5-[4-(difluoromethoxy)-3-methoxyphenyl]-6-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-one; 5-[4-(difluoromethoxy)-3-methoxyphenyl]-6-ethyl-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one Traditional Name: 5-[4-(difluoromethoxy)-3-methoxy-phenyl]-6-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-one; 5-[4-(difluoromethoxy)-3-methoxy-phenyl]-6-ethyl-3-(4-nitrobenzyl)-6H-1,3,4-thiadiazin-2-one Formula: C33H33F4N5O8S2 MolecularWeight: 767.767433

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=NNC(=O)S1)C2=CC(=C(C=C2)OC(F)F)OC.CCC1C(=NN(C(=O)S1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)OC(F)F)OC

Isomeric SMILES

CCC1C(=NNC(=O)S1)C2=CC(=C(C=C2)OC(F)F)OC.CCC1C(=NN(C(=O)S1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)OC(F)F)OC

InChI

InChI=1S/C20H19F2N3O5S.C13H14F2N2O3S/c1-3-17-18(13-6-9-15(30-19(21)22)16(10-13)29-2)23-24(20(26)31-17)11-12-4-7-14(8-5-12)25(27)28;1-3-10-11(16-17-13(18)21-10)7-4-5-8(20-12(14)15)9(6-7)19-2/h4-10,17,19H,3,11H2,1-2H3;4-6,10,12H,3H2,1-2H3,(H,17,18)