2-[4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazino]isonicotinonitrile Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCN(CC4)C5=NC=CC(=C5)C#N

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCN(CC4)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C23H20N4OS/c24-15-16-7-8-25-21(13-16)26-9-11-27(12-10-26)23(28)20-14-18-6-5-17-3-1-2-4-19(17)22(18)29-20/h1-4,7-8,13-14H,5-6,9-12H2