dimethyl-[2-[[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]ethyl]azanium Openeye Name: 2-[[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(4-hydroxy-1-phenyl-3-pyrazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C15H21N6O2S+ MolecularWeight: 349.43124

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC(=O)C1=NN(C=C1O)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC(=O)C1=NN(C=C1O)C2=CC=CC=C2

InChI

InChI=1S/C15H20N6O2S/c1-20(2)9-8-16-15(24)18-17-14(23)13-12(22)10-21(19-13)11-6-4-3-5-7-11/h3-7,10,22H,8-9H2,1-2H3,(H,17,23)(H2,16,18,24)/p+1