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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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