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

Systemtic Name: ethyl 4-ethyl-2-oxidanylidene-6-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-ethyl-2-oxo-6-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-ethyl-2-oxo-6-[[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-2-oxo-6-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-ethyl-2-keto-6-[[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H24N6O3S MolecularWeight: 464.54006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)C(=O)OCC

InChI

InChI=1S/C23H24N6O3S/c1-3-17-19(21(30)32-4-2)18(26-22(31)25-17)14-33-23-28-27-20(15-10-12-24-13-11-15)29(23)16-8-6-5-7-9-16/h5-13,17H,3-4,14H2,1-2H3,(H2,25,26,31)