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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,1,3,3-tetramethylbutyl)acetamide CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(2,4,4-trimethylpentan-2-yl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(1,1,3,3-tetramethylbutyl)acetamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)CSC1=NN=C(N1C2CC2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)CSC1=NN=C(N1C2CC2)C3=CC=NC=C3

InChI

InChI=1S/C20H29N5OS/c1-19(2,3)13-20(4,5)22-16(26)12-27-18-24-23-17(25(18)15-6-7-15)14-8-10-21-11-9-14/h8-11,15H,6-7,12-13H2,1-5H3,(H,22,26)