1-(4-bromophenyl)-3-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

Systemtic Name: 1-(4-bromophenyl)-3-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile Openeye Name: 3-benzylsulfanyl-1-(4-bromophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile CAS Name: 1-(4-bromophenyl)-3-(phenylmethylthio)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-1-(4-bromophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile Traditional Name: 3-(benzylthio)-1-(4-bromophenyl)-2-pyrindan-4-carbonitrile Formula: C22H17BrN2S MolecularWeight: 421.35278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=NC(=C2C1)C3=CC=C(C=C3)Br)SCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CC2=C(C(=NC(=C2C1)C3=CC=C(C=C3)Br)SCC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H17BrN2S/c23-17-11-9-16(10-12-17)21-19-8-4-7-18(19)20(13-24)22(25-21)26-14-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,14H2