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

Systemtic Name: ethyl 6-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-(3-acetamidophenyl)-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-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C18H20N6O4S/c1-3-28-16(26)14-8-19-17(27)22-15(14)9-29-18-23-20-10-24(18)13-6-4-5-12(7-13)21-11(2)25/h4-7,10H,3,8-9H2,1-2H3,(H,21,25)(H2,19,22,27)