N-(4-chloranyl-3-nitro-phenyl)-2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]acetamide Formula: C27H19ClN4O3S MolecularWeight: 514.98276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H19ClN4O3S/c1-17-7-9-19(10-8-17)24-14-21(18-5-3-2-4-6-18)22(15-29)27(31-24)36-16-26(33)30-20-11-12-23(28)25(13-20)32(34)35/h2-14H,16H2,1H3,(H,30,33)