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

Systemtic Name: 2-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[4-[4-(1H-indol-4-yl)-1-piperazinyl]butylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[4-[4-(1H-indol-4-yl)piperazino]butylthio]-4,6-dimethyl-nicotinonitrile Formula: C24H29N5S MolecularWeight: 419.58556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCCCN2CCN(CC2)C3=CC=CC4=C3C=CN4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCCCN2CCN(CC2)C3=CC=CC4=C3C=CN4)C

InChI

InChI=1S/C24H29N5S/c1-18-16-19(2)27-24(21(18)17-25)30-15-4-3-10-28-11-13-29(14-12-28)23-7-5-6-22-20(23)8-9-26-22/h5-9,16,26H,3-4,10-15H2,1-2H3