sodium [[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]amino]methanesulfonate

Systemtic Name: sodium [[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]amino]methanesulfonate Openeye Name: sodium [4-[(E)-(carbamothioylhydrazono)methyl]anilino]methanesulfonate CAS Name: sodium [4-[(E)-(carbamothioylhydrazinylidene)methyl]anilino]methanesulfonate IUPAC Name: sodium [4-[(E)-(carbamothioylhydrazinylidene)methyl]anilino]methanesulfonate Traditional Name: sodium [4-[(E)-(thiocarbamoylhydrazono)methyl]anilino]methanesulfonate Formula: C9H11N4NaO3S2 MolecularWeight: 310.32841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC(=S)N)NCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1/C=N/NC(=S)N)NCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H12N4O3S2.Na/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);/q;+1/p-1/b12-5+;