N-(2,3-dimethyl-6-nitro-phenyl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-(benzylthio)-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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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)C

Isomeric SMILES

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

InChI

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