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

Systemtic Name: ethyl 6-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23N5O3S2 MolecularWeight: 469.57972

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC)C4=CC=CS4

InChI

InChI=1S/C22H23N5O3S2/c1-3-27-19(16-11-8-12-31-16)25-26-22(27)32-13-15-17(20(28)30-4-2)18(24-21(29)23-15)14-9-6-5-7-10-14/h5-12,18H,3-4,13H2,1-2H3,(H2,23,24,29)