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

Systemtic Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C15H16N6OS MolecularWeight: 328.39214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NCCC#N)C3=CN=CC=C3

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NCCC#N)C3=CN=CC=C3

InChI

InChI=1S/C15H16N6OS/c16-6-2-8-18-13(22)10-23-15-20-19-14(21(15)12-4-5-12)11-3-1-7-17-9-11/h1,3,7,9,12H,2,4-5,8,10H2,(H,18,22)