3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]propyl-diethyl-azanium

Systemtic Name: 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]propyl-diethyl-azanium Openeye Name: 3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]propyl-diethyl-ammonium CAS Name: 3-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]propyl-diethylazanium Traditional Name: diethyl-[3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]propyl]ammonium Formula: C19H30N5OS+ MolecularWeight: 376.5394

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CC[NH+](CC)CCCNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C19H29N5OS/c1-5-23(6-2)14-10-13-20-19(26)21-17-15(3)22(4)24(18(17)25)16-11-8-7-9-12-16/h7-9,11-12H,5-6,10,13-14H2,1-4H3,(H2,20,21,26)/p+1