4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C19H20ClF3N4S MolecularWeight: 428.90211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C

InChI

InChI=1S/C19H20ClF3N4S/c1-12-7-13(2)9-15(8-12)25-18(28)27-5-3-26(4-6-27)17-16(20)10-14(11-24-17)19(21,22)23/h7-11H,3-6H2,1-2H3,(H,25,28)