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

Systemtic Name: ethyl 6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NNC(=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NNC(=N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H19N5O3S/c1-3-25-15(23)12-8-18-16(24)19-13(12)9-26-17-20-14(21-22-17)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,18,19,24)(H,20,21,22)