N-(4-methyl-3-nitro-phenyl)-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 2-(benzylthio)-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O3S/c1-12-8-9-15(10-16(12)19(21)22)18-17(20)13(2)23-11-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,18,20)