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

Systemtic Name: N-(cyanomethyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6OS/c21-10-12-25(16-6-2-1-3-7-16)18(27)14-28-20-24-23-19(26(20)17-8-9-17)15-5-4-11-22-13-15/h1-7,11,13,17H,8-9,12,14H2