N-(2-methyl-3-nitro-phenyl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-methyl-3-nitrophenyl)-4-(phenylthio)butanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-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=CC=C1[N+](=O)[O-])NC(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

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

InChI

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