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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H13ClN6OS MolecularWeight: 384.84272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3=CC=NC=C3

InChI

InChI=1S/C17H13ClN6OS/c1-24-16(11-4-6-20-7-5-11)22-23-17(24)26-10-15(25)21-13-3-2-12(9-19)14(18)8-13/h2-8H,10H2,1H3,(H,21,25)