ethyl 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSC2=NN=C(N2C3=CC=CC=C3C)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSC2=NN=C(N2C3=CC=CC=C3C)C4=CC=NC=C4

InChI

InChI=1S/C22H20N4O3S/c1-3-28-21(27)17-10-13-29-19(17)14-30-22-25-24-20(16-8-11-23-12-9-16)26(22)18-7-5-4-6-15(18)2/h4-13H,3,14H2,1-2H3