4-[(2E)-2-[(1,3-benzothiazol-2-yldiazenyl)-phenyl-methylidene]hydrazinyl]benzoic acid

Systemtic Name: 4-[(2E)-2-[(1,3-benzothiazol-2-yldiazenyl)-phenyl-methylidene]hydrazinyl]benzoic acid Openeye Name: 4-[(2E)-2-[1,3-benzothiazol-2-ylazo(phenyl)methylene]hydrazino]benzoic acid CAS Name: 4-[(2E)-2-[1,3-benzothiazol-2-ylazo(phenyl)methylidene]hydrazinyl]benzoic acid IUPAC Name: 4-[(2E)-2-[(1,3-benzothiazol-2-yldiazenyl)-phenylmethylidene]hydrazinyl]benzoic acid Traditional Name: 4-[(N'E)-N'-[1,3-benzothiazol-2-ylazo(phenyl)methylene]hydrazino]benzoic acid Formula: C21H15N5O2S MolecularWeight: 401.4411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)C(=O)O)N=NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)/C(=N\NC2=CC=C(C=C2)C(=O)O)/N=NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H15N5O2S/c27-20(28)15-10-12-16(13-11-15)23-24-19(14-6-2-1-3-7-14)25-26-21-22-17-8-4-5-9-18(17)29-21/h1-13,23H,(H,27,28)/b24-19+,26-25?