4-[4-[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperazine-1-carbonyl]benzonitrile Formula: C20H15F3N4O2S MolecularWeight: 432.41891

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)OC(F)(F)F)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)OC(F)(F)F)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H15F3N4O2S/c21-20(22,23)29-15-5-6-16-17(11-15)30-19(25-16)27-9-7-26(8-10-27)18(28)14-3-1-13(12-24)2-4-14/h1-6,11H,7-10H2