N-(4-methyl-3-nitro-phenyl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-4-phenylsulfanyl-butanamide CAS Name: N-(4-methyl-3-nitrophenyl)-4-(phenylthio)butanamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-4-phenylsulfanylbutanamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-4-(phenylthio)butyramide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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