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

Systemtic Name: N-(2-methylphenyl)-2-[[4-(oxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(o-tolyl)-2-[[5-(4-pyridyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-methylphenyl)-2-[[4-(2-oxolanylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methylphenyl)-2-[[4-(oxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(o-tolyl)-2-[[5-(4-pyridyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5O2S/c1-15-5-2-3-7-18(15)23-19(27)14-29-21-25-24-20(16-8-10-22-11-9-16)26(21)13-17-6-4-12-28-17/h2-3,5,7-11,17H,4,6,12-14H2,1H3,(H,23,27)