2-(4-phenylphthalazin-1-yl)sulfanyl-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-[(4-phenyl-1-phthalazinyl)thio]ethanone IUPAC Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-phenylphthalazin-1-yl)thio]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C25H22N4O2S2 MolecularWeight: 474.59778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H22N4O2S2/c30-22(28-12-14-29(15-13-28)25(31)21-11-6-16-32-21)17-33-24-20-10-5-4-9-19(20)23(26-27-24)18-7-2-1-3-8-18/h1-11,16H,12-15,17H2