2-[(5-methyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole-5-sulfonic acid

Systemtic Name: 2-[(5-methyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole-5-sulfonic acid Openeye Name: 2-[(5-methyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole-5-sulfonic acid CAS Name: 2-[(5-methyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole-5-sulfonic acid IUPAC Name: 2-[(5-methyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole-5-sulfonic acid Traditional Name: 2-[(5-methyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole-5-sulfonic acid Formula: C15H10N2O3S5 MolecularWeight: 426.5765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)SSC3=NC4=C(S3)C=CC(=C4)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)SSC3=NC4=C(S3)C=CC(=C4)S(=O)(=O)O

InChI

InChI=1S/C15H10N2O3S5/c1-8-2-4-12-10(6-8)16-14(21-12)23-24-15-17-11-7-9(25(18,19)20)3-5-13(11)22-15/h2-7H,1H3,(H,18,19,20)