2-[4-[[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(2-isopentylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[2-(3-methylbutylthio)-1-benzimidazolyl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[2-(isoamylthio)benzimidazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C23H28N6S MolecularWeight: 420.57362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=CC=CC=C2N1CN3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC(C)CCSC1=NC2=CC=CC=C2N1CN3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C23H28N6S/c1-18(2)8-14-30-23-26-20-5-3-4-6-21(20)29(23)17-27-10-12-28(13-11-27)22-15-19(16-24)7-9-25-22/h3-7,9,15,18H,8,10-14,17H2,1-2H3