2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylthiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C17H26N5S+ MolecularWeight: 332.48684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5S/c1-13-16(12-19-17(23)18-10-11-21(3)4)14(2)22(20-13)15-8-6-5-7-9-15/h5-9H,10-12H2,1-4H3,(H2,18,19,23)/p+1