N-[4-(4-methylphenyl)sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[4-(4-methylphenyl)sulfanylphenyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[4-(p-tolylsulfanyl)phenyl]benzamide CAS Name: N-[4-[(4-methylphenyl)thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(4-methylphenyl)sulfanylphenyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[4-(p-tolylthio)phenyl]benzamide Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O3S/c1-14-5-9-18(10-6-14)26-19-11-7-16(8-12-19)21-20(23)15-3-2-4-17(13-15)22(24)25/h2-13H,1H3,(H,21,23)