4-[(3-fluorophenyl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3-fluorophenyl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3-fluorophenyl)methyl]-N-[1-(o-tolylmethyl)pyrazol-4-yl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-fluorophenyl)methyl]-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-fluorophenyl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-fluorobenzyl)-N-[1-(2-methylbenzyl)pyrazol-4-yl]piperazin-4-ium-1-carbothioamide Formula: C23H27FN5S+ MolecularWeight: 424.557383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)N3CC[NH+](CC3)CC4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)N3CC[NH+](CC3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C23H26FN5S/c1-18-5-2-3-7-20(18)16-29-17-22(14-25-29)26-23(30)28-11-9-27(10-12-28)15-19-6-4-8-21(24)13-19/h2-8,13-14,17H,9-12,15-16H2,1H3,(H,26,30)/p+1