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

Systemtic Name: 3-[2-[4-(2,1,3-benzothiadiazol-4-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile Openeye Name: 3-[2-[4-(2,1,3-benzothiadiazol-4-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile CAS Name: 3-[2-[4-(2,1,3-benzothiadiazol-4-yl)-1-piperazinyl]ethyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[2-[4-(2,1,3-benzothiadiazol-4-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile Traditional Name: 3-[2-(4-piazthiol-4-ylpiperazino)ethyl]-1H-indole-5-carbonitrile Formula: C21H20N6S MolecularWeight: 388.4887

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CNC3=C2C=C(C=C3)C#N)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1CCC2=CNC3=C2C=C(C=C3)C#N)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H20N6S/c22-13-15-4-5-18-17(12-15)16(14-23-18)6-7-26-8-10-27(11-9-26)20-3-1-2-19-21(20)25-28-24-19/h1-5,12,14,23H,6-11H2