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

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(5-cyano-2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide Formula: C18H15ClF3N5S MolecularWeight: 425.85841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClF3N5S/c19-15-3-2-13(9-14(15)18(20,21)22)25-17(28)27-7-5-26(6-8-27)16-4-1-12(10-23)11-24-16/h1-4,9,11H,5-8H2,(H,25,28)