2-methoxy-4-nitro-N-phenyl-6-(phenylmethylsulfanyl)benzamide

Systemtic Name: 2-methoxy-4-nitro-N-phenyl-6-(phenylmethylsulfanyl)benzamide Openeye Name: 2-benzylsulfanyl-6-methoxy-4-nitro-N-phenyl-benzamide CAS Name: 2-methoxy-4-nitro-N-phenyl-6-(phenylmethylthio)benzamide IUPAC Name: 2-benzylsulfanyl-6-methoxy-4-nitro-N-phenylbenzamide Traditional Name: 2-(benzylthio)-6-methoxy-4-nitro-N-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-])SCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])SCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

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