[[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]amino]methanesulfonic acid

Systemtic Name: [[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]amino]methanesulfonic acid Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]anilino]methanesulfonic acid CAS Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]anilino]methanesulfonic acid IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]anilino]methanesulfonic acid Traditional Name: [4-[(E)-(thiocarbamoylhydrazono)methyl]anilino]methanesulfonic acid Formula: C9H12N4O3S2 MolecularWeight: 288.34658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC(=S)N)NCS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=N/NC(=S)N)NCS(=O)(=O)O

InChI

InChI=1S/C9H12N4O3S2/c10-9(17)13-12-5-7-1-3-8(4-2-7)11-6-18(14,15)16/h1-5,11H,6H2,(H3,10,13,17)(H,14,15,16)/b12-5+