1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[4-(4-phenyl-1-phthalazinyl)-1-piperazinyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[4-(4-phenylphthalazin-1-yl)piperazino]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C22H21N7OS MolecularWeight: 431.51344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)CSC5=NC=NN5

Isomeric SMILES

C1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)CSC5=NC=NN5

InChI

InChI=1S/C22H21N7OS/c30-19(14-31-22-23-15-24-27-22)28-10-12-29(13-11-28)21-18-9-5-4-8-17(18)20(25-26-21)16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,23,24,27)