2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[4,5-bis(2-thienyl)-1H-imidazol-2-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[4,5-bis(2-thienyl)-1H-imidazol-2-yl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H20N6OS3 MolecularWeight: 468.6181

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC(=C(N3)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC(=C(N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C21H20N6OS3/c28-17(26-8-10-27(11-9-26)20-22-6-3-7-23-20)14-31-21-24-18(15-4-1-12-29-15)19(25-21)16-5-2-13-30-16/h1-7,12-13H,8-11,14H2,(H,24,25)