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

Systemtic Name: N-(3-chloranyl-4-nitro-phenyl)-2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-nitro-phenyl)-2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-nitrophenyl)-2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-nitrophenyl)-2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-nitro-phenyl)-2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetamide Formula: C26H17ClN4O3S MolecularWeight: 500.95618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H17ClN4O3S/c27-22-13-19(11-12-24(22)31(33)34)29-25(32)16-35-26-21(15-28)20(17-7-3-1-4-8-17)14-23(30-26)18-9-5-2-6-10-18/h1-14H,16H2,(H,29,32)