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

Systemtic Name: N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-(2-furylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[1-[(2-fluorophenyl)methyl]-4-pyrazolyl]-4-(2-furanylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-[1-(2-fluorobenzyl)pyrazol-4-yl]-4-(2-furfuryl)piperazin-4-ium-1-carbothioamide Formula: C20H23FN5OS+ MolecularWeight: 400.492923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4F

InChI

InChI=1S/C20H22FN5OS/c21-19-6-2-1-4-16(19)13-26-14-17(12-22-26)23-20(28)25-9-7-24(8-10-25)15-18-5-3-11-27-18/h1-6,11-12,14H,7-10,13,15H2,(H,23,28)/p+1