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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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