N-(2-chloranyl-4-nitro-phenyl)-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetamide Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C17H15ClN4O3S/c1-9-10(2)13(7-19)17(20-11(9)3)26-8-16(23)21-15-5-4-12(22(24)25)6-14(15)18/h4-6H,8H2,1-3H3,(H,21,23)