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

Systemtic Name: 6-methyl-3-[(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)diazenyl]-2-phenyl-2H-1,3-benzothiazole-7-sulfonic acid Openeye Name: 6-methyl-3-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)azo]-2-phenyl-2H-1,3-benzothiazole-7-sulfonic acid CAS Name: 6-methyl-3-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)azo]-2-phenyl-2H-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 6-methyl-3-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-2-phenyl-2H-1,3-benzothiazole-7-sulfonic acid Traditional Name: 3-[(3-keto-5-methyl-2-pyrazolin-4-yl)azo]-6-methyl-2-phenyl-2H-1,3-benzothiazole-7-sulfonic acid Formula: C18H17N5O4S2 MolecularWeight: 431.48868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N(C(S2)C3=CC=CC=C3)N=NC4C(=NNC4=O)C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N(C(S2)C3=CC=CC=C3)N=NC4C(=NNC4=O)C)S(=O)(=O)O

InChI

InChI=1S/C18H17N5O4S2/c1-10-8-9-13-15(16(10)29(25,26)27)28-18(12-6-4-3-5-7-12)23(13)22-20-14-11(2)19-21-17(14)24/h3-9,14,18H,1-2H3,(H,21,24)(H,25,26,27)