2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-methyl-ethanamide

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C13H15N7OS MolecularWeight: 317.3695

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NN=C(N1N)C2=CN=CC=C2

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NN=C(N1N)C2=CN=CC=C2

InChI

InChI=1S/C13H15N7OS/c1-19(7-3-5-14)11(21)9-22-13-18-17-12(20(13)15)10-4-2-6-16-8-10/h2,4,6,8H,3,7,9,15H2,1H3