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

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(4-chlorophenyl)piperazine-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide CAS Name: N-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide Formula: C17H15Cl2F3N4S MolecularWeight: 435.29401

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H15Cl2F3N4S/c18-12-1-3-13(4-2-12)24-16(27)26-7-5-25(6-8-26)15-14(19)9-11(10-23-15)17(20,21)22/h1-4,9-10H,5-8H2,(H,24,27)