methyl 3-cyclopropyl-4-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-cyclopropyl-4-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-cyclopropyl-4-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-4-[[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclopropyl-4-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-2-keto-4-[[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C(NC(=O)N3C4CC4)C5=CC=CC=C5)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C(NC(=O)N3C4CC4)C5=CC=CC=C5)C(=O)OC)C

InChI

InChI=1S/C26H27N5O3S/c1-16-9-11-19(12-10-16)30-17(2)28-29-26(30)35-15-21-22(24(32)34-3)23(18-7-5-4-6-8-18)27-25(33)31(21)20-13-14-20/h4-12,20,23H,13-15H2,1-3H3,(H,27,33)