N-(4-chlorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide CAS Name: N-(4-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-chlorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide Formula: C17H16ClF3N4S MolecularWeight: 400.84895

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClF3N4S/c18-13-2-4-14(5-3-13)23-16(26)25-9-7-24(8-10-25)15-6-1-12(11-22-15)17(19,20)21/h1-6,11H,7-10H2,(H,23,26)