2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)ethanamide Openeye Name: 2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-isopropylphenyl)acetamide CAS Name: 2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide Traditional Name: 2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-o-cumenyl-acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)C)C3=CC=NC=C3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)C)C3=CC=NC=C3

InChI

InChI=1S/C22H27N5OS/c1-15(2)13-27-21(17-9-11-23-12-10-17)25-26-22(27)29-14-20(28)24-19-8-6-5-7-18(19)16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,24,28)