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

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-oxidanylidene-6-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-oxo-6-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-oxo-6-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-oxo-6-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=C(C(NC(=O)N2)C3=CC=C(C=C3)OC)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=C(C(NC(=O)N2)C3=CC=C(C=C3)OC)C(=O)OCC

InChI

InChI=1S/C20H25N5O5S/c1-4-10-25-19(28)23-24-20(25)31-11-14-15(17(26)30-5-2)16(22-18(27)21-14)12-6-8-13(29-3)9-7-12/h6-9,16H,4-5,10-11H2,1-3H3,(H,23,28)(H2,21,22,27)