4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]-N-oxidanyl-benzeneamine oxide Openeye Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]-N-hydroxy-benzeneamine oxide CAS Name: 4-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-N-hydroxybenzeneamine oxide IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]-N-hydroxybenzeneamine oxide Traditional Name: N-hydroxy-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]benzeneamine oxide Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)[NH+](O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)[NH+](O)[O-]

InChI

InChI=1S/C18H19N5O3S/c1-12-16(17(24)22(21(12)2)14-6-4-3-5-7-14)20-18(27)19-13-8-10-15(11-9-13)23(25)26/h3-11,23,25H,1-2H3,(H2,19,20,27)