2-butylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-butylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-butylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-(butylthio)-5-[4-(1H-indol-4-yl)-1-piperazinyl]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-butylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-(butylthio)-5-[4-(1H-indol-4-yl)piperazino]-4,6-dimethyl-nicotinonitrile Formula: C24H29N5S MolecularWeight: 419.58556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C(=C1C#N)C)N2CCN(CC2)C3=CC=CC4=C3C=CN4)C

Isomeric SMILES

CCCCSC1=NC(=C(C(=C1C#N)C)N2CCN(CC2)C3=CC=CC4=C3C=CN4)C

InChI

InChI=1S/C24H29N5S/c1-4-5-15-30-24-20(16-25)17(2)23(18(3)27-24)29-13-11-28(12-14-29)22-8-6-7-21-19(22)9-10-26-21/h6-10,26H,4-5,11-15H2,1-3H3