2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[2-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-1-phenylethanone IUPAC Name: 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-1-phenyl-ethanone Formula: C24H22N6OS MolecularWeight: 442.53608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NN1CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C24H22N6OS/c1-16-14-17(2)29(27-16)13-12-22-26-23-19-10-6-7-11-20(19)25-24(30(23)28-22)32-15-21(31)18-8-4-3-5-9-18/h3-11,14H,12-13,15H2,1-2H3