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

Systemtic Name: 6-methyl-2-[4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]-1,3-benzothiazole-7-sulfonic acid Openeye Name: 6-methyl-2-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-1,3-benzothiazole-7-sulfonic acid CAS Name: 6-methyl-2-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 6-methyl-2-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-[4-(5-keto-3-methyl-2-pyrazolin-1-yl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C3=NC4=C(S3)C(=C(C=C4)C)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C3=NC4=C(S3)C(=C(C=C4)C)S(=O)(=O)O

InChI

InChI=1S/C18H15N3O4S2/c1-10-3-8-14-16(17(10)27(23,24)25)26-18(19-14)12-4-6-13(7-5-12)21-15(22)9-11(2)20-21/h3-8H,9H2,1-2H3,(H,23,24,25)