dimethyl-[2-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[2-(1-pyrazolyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[2-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiocarbamoylamino]ethyl]ammonium Formula: C15H19F3N5S+ MolecularWeight: 358.40507

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2C=CC=N2

Isomeric SMILES

C[NH+](C)CCNC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2C=CC=N2

InChI

InChI=1S/C15H18F3N5S/c1-22(2)9-7-19-14(24)21-12-10-11(15(16,17)18)4-5-13(12)23-8-3-6-20-23/h3-6,8,10H,7,9H2,1-2H3,(H2,19,21,24)/p+1