3-[(2E)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]benzoic acid

Systemtic Name: 3-[(2E)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]benzoic acid Openeye Name: 3-[(2E)-2-[1,3-benzothiazol-2-yl(cyano)methylene]hydrazino]benzoic acid CAS Name: 3-[(2E)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]benzoic acid IUPAC Name: 3-[(2E)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]benzoic acid Traditional Name: 3-[(N'E)-N'-[1,3-benzothiazol-2-yl(cyano)methylene]hydrazino]benzoic acid Formula: C16H10N4O2S MolecularWeight: 322.3412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=NNC3=CC=CC(=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=N/NC3=CC=CC(=C3)C(=O)O)/C#N

InChI

InChI=1S/C16H10N4O2S/c17-9-13(15-18-12-6-1-2-7-14(12)23-15)20-19-11-5-3-4-10(8-11)16(21)22/h1-8,19H,(H,21,22)/b20-13+