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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-phenylsulfanyl-propanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-phenylsulfanyl-propanamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-(phenylthio)propanamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-phenylsulfanylpropanamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-(phenylthio)propionamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O3S/c1-11-8-9-13(10-15(11)18(20)21)17-16(19)12(2)22-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,17,19)