3-[(2Z)-5-chloranyl-2-[(3-methyl-5-pyrrol-1-yl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate

Systemtic Name: 3-[(2Z)-5-chloranyl-2-[(3-methyl-5-pyrrol-1-yl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: 3-[(2Z)-5-chloro-2-[(3-methyl-5-pyrrol-1-yl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: 3-[(2Z)-5-chloro-2-[[3-methyl-5-(1-pyrrolyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[(2Z)-5-chloro-2-[(3-methyl-5-pyrrol-1-yl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: 3-[(2Z)-5-chloro-2-[(3-methyl-5-pyrrol-1-yl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C23H20ClN3O3S3 MolecularWeight: 518.0712

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1C=C(C=C2)N3C=CC=C3)C=C4N(C5=C(S4)C=CC(=C5)Cl)CCCS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC2=C1C=C(C=C2)N3C=CC=C3)/C=C\4/N(C5=C(S4)C=CC(=C5)Cl)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C23H20ClN3O3S3/c1-25-18-14-17(26-9-2-3-10-26)6-8-20(18)31-22(25)15-23-27(11-4-12-33(28,29)30)19-13-16(24)5-7-21(19)32-23/h2-3,5-10,13-15H,4,11-12H2,1H3