methyl (6S)-3-cyclopropyl-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-3-cyclopropyl-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-cyclopropyl-4-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-cyclopropyl-4-[[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-cyclopropyl-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-cyclopropyl-2-keto-4-[[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C23H23N5O3S2 MolecularWeight: 481.59042

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC)C5=CC=CS5

Isomeric SMILES

CN1C(=NN=C1SCC2=C([C@@H](NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC)C5=CC=CS5

InChI

InChI=1S/C23H23N5O3S2/c1-27-20(17-9-6-12-32-17)25-26-23(27)33-13-16-18(21(29)31-2)19(14-7-4-3-5-8-14)24-22(30)28(16)15-10-11-15/h3-9,12,15,19H,10-11,13H2,1-2H3,(H,24,30)/t19-/m0/s1