4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: 3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: 3-nitro-4-(p-tolylthio)benzamide Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O3S/c1-9-2-5-11(6-3-9)20-13-7-4-10(14(15)17)8-12(13)16(18)19/h2-8H,1H3,(H2,15,17)