2-(4-azanyl-3-methyl-phenyl)-4,6-dimethyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-(4-azanyl-3-methyl-phenyl)-4,6-dimethyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-(4-amino-3-methyl-phenyl)-4,6-dimethyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-(4-amino-3-methylphenyl)-4,6-dimethyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-(4-amino-3-methylphenyl)-4,6-dimethyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-(4-amino-3-methyl-phenyl)-4,6-dimethyl-1,3-benzothiazole-7-sulfonic acid Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1N=C(S2)C3=CC(=C(C=C3)N)C)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C2=C1N=C(S2)C3=CC(=C(C=C3)N)C)S(=O)(=O)O)C

InChI

InChI=1S/C16H16N2O3S2/c1-8-7-11(4-5-12(8)17)16-18-13-9(2)6-10(3)15(14(13)22-16)23(19,20)21/h4-7H,17H2,1-3H3,(H,19,20,21)