1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone

Systemtic Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Openeye Name: 1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]ethanone CAS Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Traditional Name: 1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-[4-(6-nitro-3-pyridyl)piperazino]ethanone Formula: C22H22N6O3S2 MolecularWeight: 482.57848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)C5=CN=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)C5=CN=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O3S2/c29-22(15-25-7-9-26(10-8-25)16-5-6-21(23-14-16)28(30)31)27-18(20-4-2-12-33-20)13-17(24-27)19-3-1-11-32-19/h1-6,11-12,14,18H,7-10,13,15H2