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

Systemtic Name: 2-[3-[4-(1H-indol-4-yl)piperazin-1-yl]propylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[3-[4-(1H-indol-4-yl)piperazin-1-yl]propylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[3-[4-(1H-indol-4-yl)-1-piperazinyl]propylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-[4-(1H-indol-4-yl)piperazin-1-yl]propylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[3-[4-(1H-indol-4-yl)piperazino]propylthio]-4,6-dimethyl-nicotinonitrile Formula: C23H27N5S MolecularWeight: 405.55898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCCN2CCN(CC2)C3=CC=CC4=C3C=CN4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCCN2CCN(CC2)C3=CC=CC4=C3C=CN4)C

InChI

InChI=1S/C23H27N5S/c1-17-15-18(2)26-23(20(17)16-24)29-14-4-9-27-10-12-28(13-11-27)22-6-3-5-21-19(22)7-8-25-21/h3,5-8,15,25H,4,9-14H2,1-2H3