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

Systemtic Name: ethyl 4-methyl-2-oxidanylidene-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-2-oxo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-6-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-oxo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-methyl-6-[[(4-phenyl-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)NC1C)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NN=CN2C3=CC=CC=C3

InChI

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