sodium N'-[(E)-(6-methyl-1,3-benzothiazol-2-yl)diazenyl]carbamimidothioate

Systemtic Name: sodium N'-[(E)-(6-methyl-1,3-benzothiazol-2-yl)diazenyl]carbamimidothioate Openeye Name: sodium N'-[(E)-(6-methyl-1,3-benzothiazol-2-yl)azo]carbamimidothioate CAS Name: sodium N'-[(E)-(6-methyl-1,3-benzothiazol-2-yl)azo]carbamimidothioate IUPAC Name: sodium N'-[(E)-(6-methyl-1,3-benzothiazol-2-yl)diazenyl]carbamimidothioate Traditional Name: sodium N'-[(E)-(6-methyl-1,3-benzothiazol-2-yl)azo]carbamimidothioate Formula: C9H8N5NaS2 MolecularWeight: 273.31309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N=NN=C(N)[S-].[Na+]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)/N=N/N=C(\N)/[S-].[Na+]

InChI

InChI=1S/C9H9N5S2.Na/c1-5-2-3-6-7(4-5)16-9(11-6)13-14-12-8(10)15;/h2-4H,1H3,(H3,10,11,12,13,15);/q;+1/p-1