2-[(2Z)-2-[(3-methyl-2H-1,3-benzothiazol-2-yl)imino]-3H-1,3-benzothiazol-3-ium-3-yl]ethanolate

Systemtic Name: 2-[(2Z)-2-[(3-methyl-2H-1,3-benzothiazol-2-yl)imino]-3H-1,3-benzothiazol-3-ium-3-yl]ethanolate Openeye Name: 2-[(2Z)-2-[(3-methyl-2H-1,3-benzothiazol-2-yl)imino]-3H-1,3-benzothiazol-3-ium-3-yl]ethanolate CAS Name: 2-[(2Z)-2-[(3-methyl-2H-1,3-benzothiazol-2-yl)imino]-3H-1,3-benzothiazol-3-ium-3-yl]ethanolate IUPAC Name: 2-[(2Z)-2-[(3-methyl-2H-1,3-benzothiazol-2-yl)imino]-3H-1,3-benzothiazol-3-ium-3-yl]ethanolate Traditional Name: 2-[(2Z)-2-[(3-methyl-2H-1,3-benzothiazol-2-yl)imino]-3H-1,3-benzothiazol-3-ium-3-yl]ethanolate Formula: C17H17N3OS2 MolecularWeight: 343.46638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(SC2=CC=CC=C21)N=C3[NH+](C4=CC=CC=C4S3)CC[O-]

Isomeric SMILES

CN1C(SC2=CC=CC=C21)/N=C\3/[NH+](C4=CC=CC=C4S3)CC[O-]

InChI

InChI=1S/C17H16N3OS2/c1-19-12-6-2-4-8-14(12)22-16(19)18-17-20(10-11-21)13-7-3-5-9-15(13)23-17/h2-9,16H,10-11H2,1H3/q-1/p+1/b18-17-