N-[2-(4-methylphenyl)sulfanylethyl]-3-nitro-benzamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[2-(p-tolylsulfanyl)ethyl]benzamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[2-(p-tolylthio)ethyl]benzamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-12-5-7-15(8-6-12)22-10-9-17-16(19)13-3-2-4-14(11-13)18(20)21/h2-8,11H,9-10H2,1H3,(H,17,19)