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

Systemtic Name: ethyl 4-(furan-2-yl)-2-oxidanylidene-6-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-furyl)-2-oxo-6-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-furanyl)-2-oxo-6-[[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-yl)-2-oxo-6-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-furyl)-2-keto-6-[[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O5S/c1-2-31-19(28)17-15(23-20(29)24-18(17)16-9-6-12-32-16)13-33-22-26-25-21(30)27(22)11-10-14-7-4-3-5-8-14/h3-9,12,18H,2,10-11,13H2,1H3,(H,25,30)(H2,23,24,29)