N-(2-cyanoethyl)-N-methyl-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-methyl-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-methyl-2-[(4-nitrophenyl)thio]acetamide Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3S/c1-14(8-2-7-13)12(16)9-19-11-5-3-10(4-6-11)15(17)18/h3-6H,2,8-9H2,1H3