N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]piperazin-4-ium-1-carbothioamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]piperazin-4-ium-1-carbothioamide Formula: C22H24ClFN5S+ MolecularWeight: 444.975863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H23ClFN5S/c23-19-7-4-8-20(24)18(19)16-29-10-9-21(26-29)25-22(30)28-13-11-27(12-14-28)15-17-5-2-1-3-6-17/h1-10H,11-16H2,(H,25,26,30)/p+1