1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[5-(tetrahydrofuran-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-(2-oxolanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[5-(tetrahydrofurfurylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C16H18BrN3O3S2 MolecularWeight: 444.36642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)NCC3CCCO3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)NCC3CCCO3)Br

InChI

InChI=1S/C16H18BrN3O3S2/c1-22-14-5-4-10(7-12(14)17)13(21)9-24-16-20-19-15(25-16)18-8-11-3-2-6-23-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,18,19)