3-[4-[4-(2,1,3-benzothiadiazol-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[4-[4-(2,1,3-benzothiadiazol-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[4-(2,1,3-benzothiadiazol-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[4-(2,1,3-benzothiadiazol-4-yl)-1-piperazinyl]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[4-(2,1,3-benzothiadiazol-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-(4-piazthiol-4-ylpiperazino)butyl]-1H-indole-5-carbonitrile Formula: C23H24N6S MolecularWeight: 416.54186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C23H24N6S/c24-15-17-7-8-20-19(14-17)18(16-25-20)4-1-2-9-28-10-12-29(13-11-28)22-6-3-5-21-23(22)27-30-26-21/h3,5-8,14,16,25H,1-2,4,9-13H2