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

Systemtic Name: methyl (4S)-4-(2-chlorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2-chlorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-chlorophenyl)-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-(2-chlorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-chlorophenyl)-2-keto-6-[[(2-methyl-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H16ClN5O3S MolecularWeight: 393.84794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=N1)SCC2=C(C(NC(=O)N2)C3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

CN1C(=NC=N1)SCC2=C([C@H](NC(=O)N2)C3=CC=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C16H16ClN5O3S/c1-22-16(18-8-19-22)26-7-11-12(14(23)25-2)13(21-15(24)20-11)9-5-3-4-6-10(9)17/h3-6,8,13H,7H2,1-2H3,(H2,20,21,24)/t13-/m1/s1