ethyl 5-phenyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-phenyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 5-phenyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-phenyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-phenyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C18H16N4O2S/c1-2-24-17(23)14-15(12-7-4-3-5-8-12)21-18-19-11-20-22(18)16(14)13-9-6-10-25-13/h3-11,16H,2H2,1H3,(H,19,20,21)