4-[(2E)-2-(1-carbamimidoyl-3-methyl-5-oxidanylidene-pyrazol-4-ylidene)hydrazinyl]benzenesulfonimidic acid

Systemtic Name: 4-[(2E)-2-(1-carbamimidoyl-3-methyl-5-oxidanylidene-pyrazol-4-ylidene)hydrazinyl]benzenesulfonimidic acid Openeye Name: 4-[(2E)-2-(1-carbamimidoyl-3-methyl-5-oxo-pyrazol-4-ylidene)hydrazino]benzenesulfonimidic acid CAS Name: 4-[(2E)-2-(1-carbamimidoyl-3-methyl-5-oxo-4-pyrazolylidene)hydrazinyl]benzenesulfonimidic acid IUPAC Name: 4-[(2E)-2-(1-carbamimidoyl-3-methyl-5-oxopyrazol-4-ylidene)hydrazinyl]benzenesulfonimidic acid Traditional Name: 4-[(N'E)-N'-(1-amidino-5-keto-3-methyl-2-pyrazolin-4-ylidene)hydrazino]benzenesulfonimidic acid Formula: C11H13N7O3S MolecularWeight: 323.33102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)S(=N)(=O)O)C(=N)N

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=C(C=C2)S(=N)(=O)O)C(=N)N

InChI

InChI=1S/C11H13N7O3S/c1-6-9(10(19)18(17-6)11(12)13)16-15-7-2-4-8(5-3-7)22(14,20)21/h2-5,15H,1H3,(H3,12,13)(H2,14,20,21)/b16-9+