4-[3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]benzene-1,2-dicarbonitrile trihydrochloride

Systemtic Name: 4-[3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]benzene-1,2-dicarbonitrile trihydrochloride Openeye Name: 4-[3-piperazin-1-yl-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]phthalonitrile trihydrochloride CAS Name: 4-[5-[oxo(3-thiazolidinyl)methyl]-3-(1-piperazinyl)-3-pyrrolidinyl]benzene-1,2-dicarbonitrile trihydrochloride IUPAC Name: 4-[3-piperazin-1-yl-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]benzene-1,2-dicarbonitrile trihydrochloride Traditional Name: 4-[3-piperazino-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]phthalonitrile trihydrochloride Formula: C20H27Cl3N6OS MolecularWeight: 505.89198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2(CC(NC2)C(=O)N3CCSC3)C4=CC(=C(C=C4)C#N)C#N.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1)C2(CC(NC2)C(=O)N3CCSC3)C4=CC(=C(C=C4)C#N)C#N.Cl.Cl.Cl

InChI

InChI=1S/C20H24N6OS.3ClH/c21-11-15-1-2-17(9-16(15)12-22)20(26-5-3-23-4-6-26)10-18(24-13-20)19(27)25-7-8-28-14-25;;;/h1-2,9,18,23-24H,3-8,10,13-14H2;3*1H