ethyl 6-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN=C(N2C3=CC=CC=C3C)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN=C(N2C3=CC=CC=C3C)C4=CN=CC=C4

InChI

InChI=1S/C22H22N6O3S/c1-3-31-20(29)16-12-24-21(30)25-17(16)13-32-22-27-26-19(15-8-6-10-23-11-15)28(22)18-9-5-4-7-14(18)2/h4-11H,3,12-13H2,1-2H3,(H2,24,25,30)