2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylcarbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylcarbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylcarbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylcarbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylthiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C21H25FN5S+ MolecularWeight: 398.520103

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCNC(=S)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C21H24FN5S/c1-26(2)13-12-23-21(28)24-14-17-15-27(19-6-4-3-5-7-19)25-20(17)16-8-10-18(22)11-9-16/h3-11,15H,12-14H2,1-2H3,(H2,23,24,28)/p+1