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

Systemtic Name: ethyl 2-oxidanylidene-4-phenyl-6-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-4-phenyl-6-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-4-phenyl-6-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-phenyl-6-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-phenyl-6-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=C(C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=C(C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C19H23N5O3S/c1-3-8-14-21-19(24-23-14)28-11-13-15(17(25)27-4-2)16(22-18(26)20-13)12-9-6-5-7-10-12/h5-7,9-10,16H,3-4,8,11H2,1-2H3,(H2,20,22,26)(H,21,23,24)