2-(4-aminophenyl)-2-(1,3-benzothiazol-6-yl)-6-methyl-3H-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-(4-aminophenyl)-2-(1,3-benzothiazol-6-yl)-6-methyl-3H-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-(4-aminophenyl)-2-(1,3-benzothiazol-6-yl)-6-methyl-3H-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-(4-aminophenyl)-2-(1,3-benzothiazol-6-yl)-6-methyl-3H-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-(4-aminophenyl)-2-(1,3-benzothiazol-6-yl)-6-methyl-3H-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-(4-aminophenyl)-2-(1,3-benzothiazol-6-yl)-6-methyl-3H-1,3-benzothiazole-7-sulfonic acid Formula: C21H17N3O3S3 MolecularWeight: 455.57298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(S2)(C3=CC=C(C=C3)N)C4=CC5=C(C=C4)N=CS5)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(S2)(C3=CC=C(C=C3)N)C4=CC5=C(C=C4)N=CS5)S(=O)(=O)O

InChI

InChI=1S/C21H17N3O3S3/c1-12-2-8-17-19(20(12)30(25,26)27)29-21(24-17,13-3-6-15(22)7-4-13)14-5-9-16-18(10-14)28-11-23-16/h2-11,24H,22H2,1H3,(H,25,26,27)