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

Systemtic Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H20N6OS/c22-11-4-14-26(17-5-2-1-3-6-17)19(28)15-29-21-25-24-20(27(21)18-7-8-18)16-9-12-23-13-10-16/h1-3,5-6,9-10,12-13,18H,4,7-8,14-15H2