3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylthiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H28N5S+ MolecularWeight: 346.51342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C18H27N5S/c1-14-17(13-20-18(24)19-11-8-12-22(3)4)15(2)23(21-14)16-9-6-5-7-10-16/h5-7,9-10H,8,11-13H2,1-4H3,(H2,19,20,24)/p+1