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

Systemtic Name: ethyl 6-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C(NC(=O)N2)C)C(=O)OCC)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C(NC(=O)N2)C)C(=O)OCC)C3=CC=CC=C3C

InChI

InChI=1S/C20H25N5O3S/c1-5-25-17(14-10-8-7-9-12(14)3)23-24-20(25)29-11-15-16(18(26)28-6-2)13(4)21-19(27)22-15/h7-10,13H,5-6,11H2,1-4H3,(H2,21,22,27)