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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O4S/c1-3-10-24-18(27)22-23-19(24)29-11-13-14(16(25)28-4-2)15(21-17(26)20-13)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3,(H,22,27)(H2,20,21,26)