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

Systemtic Name: ethyl 6-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H23N5O4S MolecularWeight: 417.48202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(CNC(=O)N2)C(=O)OCC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(CNC(=O)N2)C(=O)OCC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H23N5O4S/c1-4-24-16(12-6-8-13(27-3)9-7-12)22-23-19(24)29-11-15-14(17(25)28-5-2)10-20-18(26)21-15/h6-9H,4-5,10-11H2,1-3H3,(H2,20,21,26)