N-(3-methylphenyl)-3-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(3-methylphenyl)-3-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(m-tolyl)-3-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-(3-methylphenyl)-3-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(3-methylphenyl)-3-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(m-tolyl)-3-[(4-nitrophenyl)thio]propionamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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