8-(1-benzothiophen-2-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-3,4-dihydro-1H-isothiochromene-5-carbonitrile

Systemtic Name: 8-(1-benzothiophen-2-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-3,4-dihydro-1H-isothiochromene-5-carbonitrile Openeye Name: 8-(benzothiophen-2-yl)-6-[4-(2-pyridyl)piperazin-1-yl]isothiochromane-5-carbonitrile CAS Name: 8-(1-benzothiophen-2-yl)-6-[4-(2-pyridinyl)-1-piperazinyl]-3,4-dihydro-1H-2-benzothiopyran-5-carbonitrile IUPAC Name: 8-(1-benzothiophen-2-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-3,4-dihydro-1H-isothiochromene-5-carbonitrile Traditional Name: 8-(benzothiophen-2-yl)-6-[4-(2-pyridyl)piperazino]isothiochroman-5-carbonitrile Formula: C27H24N4S2 MolecularWeight: 468.63626

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC2=C1C(=C(C=C2C3=CC4=CC=CC=C4S3)N5CCN(CC5)C6=CC=CC=N6)C#N

Isomeric SMILES

C1CSCC2=C1C(=C(C=C2C3=CC4=CC=CC=C4S3)N5CCN(CC5)C6=CC=CC=N6)C#N

InChI

InChI=1S/C27H24N4S2/c28-17-22-20-8-14-32-18-23(20)21(26-15-19-5-1-2-6-25(19)33-26)16-24(22)30-10-12-31(13-11-30)27-7-3-4-9-29-27/h1-7,9,15-16H,8,10-14,18H2