4-(2,5-dimethyl-4-thiomorpholin-4-ylcarbonyl-piperazin-1-yl)-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-(2,5-dimethyl-4-thiomorpholin-4-ylcarbonyl-piperazin-1-yl)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[2,5-dimethyl-4-(thiomorpholine-4-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[2,5-dimethyl-4-[oxo(thiomorpholin-4-yl)methyl]-1-piperazinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[2,5-dimethyl-4-(thiomorpholine-4-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[2,5-dimethyl-4-(thiomorpholine-4-carbonyl)piperazino]-2-(trifluoromethyl)benzonitrile Formula: C19H23F3N4OS MolecularWeight: 412.47233

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)N2CCSCC2)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CC1CN(C(CN1C(=O)N2CCSCC2)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C19H23F3N4OS/c1-13-12-26(18(27)24-5-7-28-8-6-24)14(2)11-25(13)16-4-3-15(10-23)17(9-16)19(20,21)22/h3-4,9,13-14H,5-8,11-12H2,1-2H3