1,5-diphenyl-3-thiophen-2-ylcarbonyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Systemtic Name: 1,5-diphenyl-3-thiophen-2-ylcarbonyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 1,5-diphenyl-3-(thiophene-2-carbonyl)-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 3-[oxo(thiophen-2-yl)methyl]-1,5-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 1,5-diphenyl-3-(thiophene-2-carbonyl)-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 1,5-diphenyl-3-(2-thenoyl)-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C22H14N4O2S MolecularWeight: 398.43716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C3N2C(=NN3C4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C3N2C(=NN3C4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C22H14N4O2S/c27-19-14-17(15-8-3-1-4-9-15)25-21(20(28)18-12-7-13-29-18)24-26(22(25)23-19)16-10-5-2-6-11-16/h1-14H