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

Systemtic Name: N-(4-methoxyphenyl)-2-[[4-(oxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[[5-(4-pyridyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[[4-(2-oxolanylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[[4-(oxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-methoxyphenyl)-2-[[5-(4-pyridyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5O3S/c1-28-17-6-4-16(5-7-17)23-19(27)14-30-21-25-24-20(15-8-10-22-11-9-15)26(21)13-18-3-2-12-29-18/h4-11,18H,2-3,12-14H2,1H3,(H,23,27)