3-[(2E)-2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylhydrazinylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2E)-2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylhydrazinylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2E)-2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylhydrazono]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2E)-2-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazinylidene]-1,3-benzothiazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[(2E)-2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylhydrazinylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2E)-2-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylhydrazono]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Formula: C17H16BrN3O4S2 MolecularWeight: 470.36064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=NNC=C3C=C(C=CC3=O)Br)S2)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(/C(=N\NC=C3C=C(C=CC3=O)Br)/S2)CCCS(=O)(=O)O

InChI

InChI=1S/C17H16BrN3O4S2/c18-13-6-7-15(22)12(10-13)11-19-20-17-21(8-3-9-27(23,24)25)14-4-1-2-5-16(14)26-17/h1-2,4-7,10-11,19H,3,8-9H2,(H,23,24,25)/b12-11?,20-17+