sodium 6-methyl-2-[4-[(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonate

Systemtic Name: sodium 6-methyl-2-[4-[(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonate Openeye Name: sodium 6-methyl-2-[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)azo]phenyl]-1,3-benzothiazole-7-sulfonate CAS Name: sodium 6-methyl-2-[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)azo]phenyl]-1,3-benzothiazole-7-sulfonate IUPAC Name: sodium 6-methyl-2-[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonate Traditional Name: sodium 2-[4-[(3-keto-5-methyl-2-pyrazolin-4-yl)azo]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate Formula: C18H14N5NaO4S2 MolecularWeight: 451.45463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=NNC4=O)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=NNC4=O)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H15N5O4S2.Na/c1-9-3-8-13-15(16(9)29(25,26)27)28-18(19-13)11-4-6-12(7-5-11)21-22-14-10(2)20-23-17(14)24;/h3-8,14H,1-2H3,(H,23,24)(H,25,26,27);/q;+1/p-1