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

Systemtic Name: ethyl 2-oxidanylidene-6-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H17N5O3S/c1-2-24-14(22)12-8-17-15(23)19-13(12)9-25-16-18-10-21(20-16)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,17,19,23)