N-(3-chloranyl-4-fluoranyl-phenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(5-cyano-2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide Formula: C17H15ClFN5S MolecularWeight: 375.850903

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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)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClFN5S/c18-14-9-13(2-3-15(14)19)22-17(25)24-7-5-23(6-8-24)16-4-1-12(10-20)11-21-16/h1-4,9,11H,5-8H2,(H,22,25)