N-(2-methyl-5-nitro-phenyl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-(benzylthio)-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O3S/c1-12-7-8-14(18(20)21)9-15(12)17-16(19)11-22-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,17,19)