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

Systemtic Name: N-(3-methylbutyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-isopentyl-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-methylbutyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-isoamyl-2-[[4-(o-tolyl)-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:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCCC(C)C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCCC(C)C)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5OS/c1-15(2)8-13-23-19(27)14-28-21-25-24-20(17-9-11-22-12-10-17)26(21)18-7-5-4-6-16(18)3/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,23,27)