N-(2-methyl-5-nitro-phenyl)-2-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-(p-tolylsulfanyl)butanamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-(p-tolylthio)butyramide Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=CC=C(C=C2)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=CC=C(C=C2)C

InChI

InChI=1S/C18H20N2O3S/c1-4-17(24-15-9-5-12(2)6-10-15)18(21)19-16-11-14(20(22)23)8-7-13(16)3/h5-11,17H,4H2,1-3H3,(H,19,21)