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

Systemtic Name: 4-[[4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazino]methyl]benzonitrile Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCN(CC4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCN(CC4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H23N3OS/c26-16-18-5-7-19(8-6-18)17-27-11-13-28(14-12-27)25(29)23-15-21-10-9-20-3-1-2-4-22(20)24(21)30-23/h1-8,15H,9-14,17H2