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

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-(2-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-methyl-2-(2-nitrophenyl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-[(2-nitrophenyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-2-(2-nitrophenyl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-methyl-2-[(2-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=CC=C1[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S/c1-14(8-4-7-13)12(16)9-19-11-6-3-2-5-10(11)15(17)18/h2-3,5-6H,4,8-9H2,1H3