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

Systemtic Name: ethyl 2-oxidanylidene-6-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=NNC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=NNC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O4S2/c1-2-30-18(27)16-14(22-19(28)23-17(16)15-9-6-10-31-15)12-32-21-25-24-20(29)26(21)11-13-7-4-3-5-8-13/h3-10,17H,2,11-12H2,1H3,(H,24,29)(H2,22,23,28)