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

Systemtic Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Openeye Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carbothioamide CAS Name: 4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-N-[2-(trifluoromethyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Traditional Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Formula: C23H22F3N7S MolecularWeight: 485.52789

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=S)NC5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=S)NC5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C23H22F3N7S/c24-23(25,26)17-5-1-2-6-18(17)28-22(34)31-12-9-16(10-13-31)21-27-11-14-32(21)15-33-20-8-4-3-7-19(20)29-30-33/h1-8,11,14,16H,9-10,12-13,15H2,(H,28,34)