dimethyl-[3-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[2-(1-pyrazolyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiocarbamoylamino]propyl]ammonium Formula: C16H21F3N5S+ MolecularWeight: 372.43165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20F3N5S/c1-23(2)9-3-7-20-15(25)22-13-11-12(16(17,18)19)5-6-14(13)24-10-4-8-21-24/h4-6,8,10-11H,3,7,9H2,1-2H3,(H2,20,22,25)/p+1