(3E)-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: (3E)-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (3E)-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazono]-4-oxo-naphthalene-1-sulfonic acid CAS Name: (3E)-3-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]hydrazinylidene]-4-oxo-1-naphthalenesulfonic acid IUPAC Name: (3E)-3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazinylidene]-4-oxonaphthalene-1-sulfonic acid Traditional Name: (3E)-4-keto-3-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]hydrazono]naphthalene-1-sulfonic acid Formula: C13H11N5O4S2 MolecularWeight: 365.38754

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)NN=C2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)O

Isomeric SMILES

CSC1=NNC(=N1)N/N=C/2\C=C(C3=CC=CC=C3C2=O)S(=O)(=O)O

InChI

InChI=1S/C13H11N5O4S2/c1-23-13-14-12(17-18-13)16-15-9-6-10(24(20,21)22)7-4-2-3-5-8(7)11(9)19/h2-6H,1H3,(H,20,21,22)(H2,14,16,17,18)/b15-9+