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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=NSN=C5C=C4

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C23H24N6S/c24-15-17-4-6-21-20(13-17)18(16-25-21)3-1-2-8-28-9-11-29(12-10-28)19-5-7-22-23(14-19)27-30-26-22/h4-7,13-14,16,25H,1-3,8-12H2