N-(2-methoxy-4-nitro-phenyl)-2-(phenylmethylsulfanyl)benzamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-(phenylmethylsulfanyl)benzamide Openeye Name: 2-benzylsulfanyl-N-(2-methoxy-4-nitro-phenyl)benzamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-(phenylmethylthio)benzamide IUPAC Name: 2-benzylsulfanyl-N-(2-methoxy-4-nitrophenyl)benzamide Traditional Name: 2-(benzylthio)-N-(2-methoxy-4-nitro-phenyl)benzamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2SCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2SCC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4S/c1-27-19-13-16(23(25)26)11-12-18(19)22-21(24)17-9-5-6-10-20(17)28-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,22,24)