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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC3CCCO3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC3CCCO3)C4=CC=NC=C4

InChI

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