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

Systemtic Name: ethyl 4-methyl-6-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-methyl-6-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NN=C(N2C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NN=C(N2C3=CC=CC=C3)C

InChI

InChI=1S/C18H21N5O3S/c1-4-26-16(24)15-11(2)19-17(25)20-14(15)10-27-18-22-21-12(3)23(18)13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3,(H2,19,20,25)