4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(5-chloranyl-2-fluoranyl-phenyl)piperidine-1-carbothioamide

Systemtic Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(5-chloranyl-2-fluoranyl-phenyl)piperidine-1-carbothioamide Openeye Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(5-chloro-2-fluoro-phenyl)piperidine-1-carbothioamide CAS Name: 4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-N-(5-chloro-2-fluorophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(5-chloro-2-fluorophenyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(5-chloro-2-fluoro-phenyl)piperidine-1-carbothioamide Formula: C22H21ClFN7S MolecularWeight: 469.965443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=S)NC5=C(C=CC(=C5)Cl)F

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=S)NC5=C(C=CC(=C5)Cl)F

InChI

InChI=1S/C22H21ClFN7S/c23-16-5-6-17(24)19(13-16)26-22(32)29-10-7-15(8-11-29)21-25-9-12-30(21)14-31-20-4-2-1-3-18(20)27-28-31/h1-6,9,12-13,15H,7-8,10-11,14H2,(H,26,32)