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

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-6-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-[[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-6-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-6-[[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H24ClN5O3S MolecularWeight: 497.99706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=NN=CN3C4=C(C=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=NN=CN3C4=C(C=C(C=C4)C)C

InChI

InChI=1S/C24H24ClN5O3S/c1-4-33-22(31)20-18(27-23(32)28-21(20)16-6-8-17(25)9-7-16)12-34-24-29-26-13-30(24)19-10-5-14(2)11-15(19)3/h5-11,13,21H,4,12H2,1-3H3,(H2,27,28,32)