2-[(4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridin-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridin-2-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-phenyl-3,4-dihydro-1H-benzothiopheno[3,2-c]pyridin-2-yl)methyl]benzonitrile CAS Name: 2-[(4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridin-2-yl)methyl]benzonitrile IUPAC Name: 2-[(4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridin-2-yl)methyl]benzonitrile Traditional Name: 2-[(4-phenyl-3,4-dihydro-1H-benzothiopheno[3,2-c]pyridin-2-yl)methyl]benzonitrile Formula: C25H20N2S MolecularWeight: 380.5047

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(CN1CC3=CC=CC=C3C#N)C4=CC=CC=C4S2)C5=CC=CC=C5

Isomeric SMILES

C1C(C2=C(CN1CC3=CC=CC=C3C#N)C4=CC=CC=C4S2)C5=CC=CC=C5

InChI

InChI=1S/C25H20N2S/c26-14-19-10-4-5-11-20(19)15-27-16-22(18-8-2-1-3-9-18)25-23(17-27)21-12-6-7-13-24(21)28-25/h1-13,22H,15-17H2