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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbothioamide Formula: C16H14ClF4N5S MolecularWeight: 419.827473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClF4N5S/c17-11-9-10(1-2-12(11)18)23-15(27)26-7-5-25(6-8-26)14-22-4-3-13(24-14)16(19,20)21/h1-4,9H,5-8H2,(H,23,27)