N-(3-chloranyl-4-cyano-phenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H15ClN6OS MolecularWeight: 446.9121

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)C#N)Cl)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)C#N)Cl)C4=CN=CC=C4

InChI

InChI=1S/C22H15ClN6OS/c23-19-11-17(9-8-15(19)12-24)26-20(30)14-31-22-28-27-21(16-5-4-10-25-13-16)29(22)18-6-2-1-3-7-18/h1-11,13H,14H2,(H,26,30)