4-[(5Z)-5-(carbamothioylhydrazinylidene)-3-methyl-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(5Z)-5-(carbamothioylhydrazinylidene)-3-methyl-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(5Z)-5-(carbamothioylhydrazono)-3-methyl-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(5Z)-5-(carbamothioylhydrazinylidene)-3-methyl-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 4-[(5Z)-5-(carbamothioylhydrazinylidene)-3-methyl-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(5Z)-3-methyl-5-(thiocarbamoylhydrazono)-2-pyrazolin-1-yl]besylic acid Formula: C11H13N5O3S2 MolecularWeight: 327.38262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(/C(=N\NC(=S)N)/C1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C11H13N5O3S2/c1-7-6-10(13-14-11(12)20)16(15-7)8-2-4-9(5-3-8)21(17,18)19/h2-5H,6H2,1H3,(H3,12,14,20)(H,17,18,19)/b13-10-