6-(4-methylphenyl)-8-piperidin-1-yl-4,5-dihydrobenzo[e][1]benzothiole-9-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-8-piperidin-1-yl-4,5-dihydrobenzo[e][1]benzothiole-9-carbonitrile Openeye Name: 8-(1-piperidyl)-6-(p-tolyl)-4,5-dihydrobenzo[e]benzothiophene-9-carbonitrile CAS Name: 6-(4-methylphenyl)-8-(1-piperidinyl)-4,5-dihydrobenzo[e][1]benzothiole-9-carbonitrile IUPAC Name: 6-(4-methylphenyl)-8-piperidin-1-yl-4,5-dihydrobenzo[e][1]benzothiole-9-carbonitrile Traditional Name: 8-piperidino-6-(p-tolyl)-4,5-dihydrobenzo[e]benzothiophene-9-carbonitrile Formula: C25H24N2S MolecularWeight: 384.53646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C3=C2CCC4=C3C=CS4)C#N)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C3=C2CCC4=C3C=CS4)C#N)N5CCCCC5

InChI

InChI=1S/C25H24N2S/c1-17-5-7-18(8-6-17)21-15-23(27-12-3-2-4-13-27)22(16-26)25-19(21)9-10-24-20(25)11-14-28-24/h5-8,11,14-15H,2-4,9-10,12-13H2,1H3