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

Systemtic Name: ethyl 6-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-(4-methylphenyl)-5-phenyl-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-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O3S/c1-3-31-21(29)18-13-24-22(30)25-19(18)14-32-23-27-26-20(16-7-5-4-6-8-16)28(23)17-11-9-15(2)10-12-17/h4-12H,3,13-14H2,1-2H3,(H2,24,25,30)