8-methyl-5-[(4-nitrophenyl)methoxy]-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one

Systemtic Name: 8-methyl-5-[(4-nitrophenyl)methoxy]-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one Openeye Name: 8-methyl-5-[(4-nitrophenyl)methoxy]-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one CAS Name: 8-methyl-5-[(4-nitrophenyl)methoxy]-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one IUPAC Name: 8-methyl-5-[(4-nitrophenyl)methoxy]-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one Traditional Name: 8-methyl-5-(4-nitrobenzyl)oxy-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazepin-9-one Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=N1)N(CCCS2)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(C=N1)N(CCCS2)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O4S/c1-17-15(20)14-13(9-16-17)18(7-2-8-24-14)23-10-11-3-5-12(6-4-11)19(21)22/h3-6,9H,2,7-8,10H2,1H3