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

Systemtic Name: 4-(4-methylphenyl)sulfanyl-N-(3-nitrophenyl)butanamide Openeye Name: N-(3-nitrophenyl)-4-(p-tolylsulfanyl)butanamide CAS Name: 4-[(4-methylphenyl)thio]-N-(3-nitrophenyl)butanamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-N-(3-nitrophenyl)butanamide Traditional Name: N-(3-nitrophenyl)-4-(p-tolylthio)butyramide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O3S/c1-13-7-9-16(10-8-13)23-11-3-6-17(20)18-14-4-2-5-15(12-14)19(21)22/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,18,20)