4-[2-[2-(1H-indol-3-ylmethylsulfanyl)ethanoyl]-3,6-dihydro-2H-pyridin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-(1H-indol-3-ylmethylsulfanyl)ethanoyl]-3,6-dihydro-2H-pyridin-1-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-(1H-indol-3-ylmethylsulfanyl)acetyl]-3,6-dihydro-2H-pyridin-1-yl]benzonitrile CAS Name: 4-[2-[2-(1H-indol-3-ylmethylthio)-1-oxoethyl]-3,6-dihydro-2H-pyridin-1-yl]benzonitrile IUPAC Name: 4-[2-[2-(1H-indol-3-ylmethylsulfanyl)acetyl]-3,6-dihydro-2H-pyridin-1-yl]benzonitrile Traditional Name: 4-[2-[2-(1H-indol-3-ylmethylthio)acetyl]-3,6-dihydro-2H-pyridin-1-yl]benzonitrile Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCN(C1C(=O)CSCC2=CNC3=CC=CC=C32)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C=CCN(C1C(=O)CSCC2=CNC3=CC=CC=C32)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H21N3OS/c24-13-17-8-10-19(11-9-17)26-12-4-3-7-22(26)23(27)16-28-15-18-14-25-21-6-2-1-5-20(18)21/h1-6,8-11,14,22,25H,7,12,15-16H2