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

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(4-fluorophenyl)piperazine-1-carbothioamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(4-fluorophenyl)piperazine-1-carbothioamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(4-fluorophenyl)piperazine-1-carbothioamide Formula: C17H15ClF4N4S MolecularWeight: 418.839413

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H15ClF4N4S/c18-14-9-11(17(20,21)22)10-23-15(14)25-5-7-26(8-6-25)16(27)24-13-3-1-12(19)2-4-13/h1-4,9-10H,5-8H2,(H,24,27)