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

Systemtic Name: methyl 3-cyclopropyl-2-oxidanylidene-6-phenyl-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-cyclopropyl-2-oxo-6-phenyl-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-2-oxo-6-phenyl-4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclopropyl-2-oxo-6-phenyl-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-2-keto-6-phenyl-4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C24H23N5O3S MolecularWeight: 461.53612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=NN=CN4C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=NN=CN4C5=CC=CC=C5

InChI

InChI=1S/C24H23N5O3S/c1-32-22(30)20-19(14-33-24-27-25-15-28(24)17-10-6-3-7-11-17)29(18-12-13-18)23(31)26-21(20)16-8-4-2-5-9-16/h2-11,15,18,21H,12-14H2,1H3,(H,26,31)