ethyl 2-oxidanylidene-4-thiophen-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-4-thiophen-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-4-(2-thienyl)-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-4-thiophen-2-yl-6-[(1H-1,2,4-triazol-5-ylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-thiophen-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(2-thienyl)-6-[(1H-1,2,4-triazol-5-ylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H15N5O3S2 MolecularWeight: 365.4306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=NC=NN3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=NC=NN3

InChI

InChI=1S/C14H15N5O3S2/c1-2-22-12(20)10-8(6-24-14-15-7-16-19-14)17-13(21)18-11(10)9-4-3-5-23-9/h3-5,7,11H,2,6H2,1H3,(H,15,16,19)(H2,17,18,21)