3-(4-chlorophenyl)-7-methoxy-2-[(4-nitrophenyl)methylsulfanyl]-5H-1,3-benzodiazepin-4-one

Systemtic Name: 3-(4-chlorophenyl)-7-methoxy-2-[(4-nitrophenyl)methylsulfanyl]-5H-1,3-benzodiazepin-4-one Openeye Name: 3-(4-chlorophenyl)-7-methoxy-2-[(4-nitrophenyl)methylsulfanyl]-5H-1,3-benzodiazepin-4-one CAS Name: 3-(4-chlorophenyl)-7-methoxy-2-[(4-nitrophenyl)methylthio]-5H-1,3-benzodiazepin-4-one IUPAC Name: 3-(4-chlorophenyl)-7-methoxy-2-[(4-nitrophenyl)methylsulfanyl]-5H-1,3-benzodiazepin-4-one Traditional Name: 3-(4-chlorophenyl)-7-methoxy-2-[(4-nitrobenzyl)thio]-5H-1,3-benzodiazepin-4-one Formula: C23H18ClN3O4S MolecularWeight: 467.92472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N(C(=O)C2)C3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N(C(=O)C2)C3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18ClN3O4S/c1-31-20-10-11-21-16(12-20)13-22(28)26(18-8-4-17(24)5-9-18)23(25-21)32-14-15-2-6-19(7-3-15)27(29)30/h2-12H,13-14H2,1H3