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

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

CCN1C(=NN=C1SCC2=C(CNC(=O)N2)C(=O)OCC)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(CNC(=O)N2)C(=O)OCC)CC3=CC=CC=C3

InChI

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