N-[4-(4-methylphenyl)sulfanylphenyl]-2-nitro-benzamide

Systemtic Name: N-[4-(4-methylphenyl)sulfanylphenyl]-2-nitro-benzamide Openeye Name: 2-nitro-N-[4-(p-tolylsulfanyl)phenyl]benzamide CAS Name: N-[4-[(4-methylphenyl)thio]phenyl]-2-nitrobenzamide IUPAC Name: N-[4-(4-methylphenyl)sulfanylphenyl]-2-nitrobenzamide Traditional Name: 2-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/c1-14-6-10-16(11-7-14)26-17-12-8-15(9-13-17)21-20(23)18-4-2-3-5-19(18)22(24)25/h2-13H,1H3,(H,21,23)