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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-oxidanylidene-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-2-oxo-6-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-keto-6-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H20ClN5O3S MolecularWeight: 469.9439

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=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN5O3S/c1-2-31-20(29)17-16(24-21(30)25-18(17)13-8-10-15(23)11-9-13)12-32-22-26-19(27-28-22)14-6-4-3-5-7-14/h3-11,18H,2,12H2,1H3,(H2,24,25,30)(H,26,27,28)