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

Systemtic Name: N-(2-ethylphenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-ethylphenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC(C)C)C3=CC=NC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC(C)C)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5OS/c1-4-16-7-5-6-8-18(16)23-19(27)14-28-21-25-24-20(26(21)13-15(2)3)17-9-11-22-12-10-17/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)