2-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[2-[4-(1H-indol-4-yl)-1-piperazinyl]ethylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[2-[4-(1H-indol-4-yl)piperazino]ethylthio]-4,6-dimethyl-nicotinonitrile Formula: C22H25N5S MolecularWeight: 391.5324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCN2CCN(CC2)C3=CC=CC4=C3C=CN4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCN2CCN(CC2)C3=CC=CC4=C3C=CN4)C

InChI

InChI=1S/C22H25N5S/c1-16-14-17(2)25-22(19(16)15-23)28-13-12-26-8-10-27(11-9-26)21-5-3-4-20-18(21)6-7-24-20/h3-7,14,24H,8-13H2,1-2H3