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

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[[4-phenyl-5-(4-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=C(C=CC(=C3)Cl)C#N)C4=CC=NC=C4

Isomeric SMILES

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

InChI

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