4-[2-[(1,3-benzothiazol-2-yldiazenyl)-phenyl-methylidene]hydrazinyl]benzoate

Systemtic Name: 4-[2-[(1,3-benzothiazol-2-yldiazenyl)-phenyl-methylidene]hydrazinyl]benzoate Openeye Name: 4-[2-[1,3-benzothiazol-2-ylazo(phenyl)methylene]hydrazino]benzoate CAS Name: 4-[2-[1,3-benzothiazol-2-ylazo(phenyl)methylidene]hydrazinyl]benzoate IUPAC Name: 4-[2-[(1,3-benzothiazol-2-yldiazenyl)-phenylmethylidene]hydrazinyl]benzoate Traditional Name: 4-[N'-[1,3-benzothiazol-2-ylazo(phenyl)methylene]hydrazino]benzoate Formula: C21H14N5O2S- MolecularWeight: 400.43316

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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(=NNC2=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)/p-1