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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CSC3=NC=NN3C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=C(NC(=O)N2)CSC3=NC=NN3C)C(=O)OC

InChI

InChI=1S/C17H19N5O3S/c1-10-4-6-11(7-5-10)14-13(15(23)25-3)12(20-16(24)21-14)8-26-17-18-9-19-22(17)2/h4-7,9,14H,8H2,1-3H3,(H2,20,21,24)/t14-/m0/s1