bis(azanyl)methylidene-[4-[(1-methylpyrazol-3-yl)carbonylcarbamothioylamino]phenyl]sulfonyl-azanium

Systemtic Name: bis(azanyl)methylidene-[4-[(1-methylpyrazol-3-yl)carbonylcarbamothioylamino]phenyl]sulfonyl-azanium Openeye Name: diaminomethylene-[4-[(1-methylpyrazole-3-carbonyl)carbamothioylamino]phenyl]sulfonyl-ammonium CAS Name: diaminomethylidene-[4-[[[[(1-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]sulfonylammonium IUPAC Name: diaminomethylidene-[4-[(1-methylpyrazole-3-carbonyl)carbamothioylamino]phenyl]sulfonylazanium Traditional Name: diaminomethylene-[4-[(1-methylpyrazole-3-carbonyl)thiocarbamoylamino]phenyl]sulfonyl-ammonium Formula: C13H16N7O3S2+ MolecularWeight: 382.44124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[NH+]=C(N)N

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[NH+]=C(N)N

InChI

InChI=1S/C13H15N7O3S2/c1-20-7-6-10(18-20)11(21)17-13(24)16-8-2-4-9(5-3-8)25(22,23)19-12(14)15/h2-7H,1H3,(H4,14,15,19)(H2,16,17,21,24)/p+1