3-[[(5Z)-4-oxidanidyl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-2-ylidene]amino]benzoate

Systemtic Name: 3-[[(5Z)-4-oxidanidyl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-2-ylidene]amino]benzoate Openeye Name: 3-[[(5Z)-4-oxido-5-(3-pyridylmethylene)thiazol-2-ylidene]amino]benzoate CAS Name: 3-[[(5Z)-4-oxido-5-(3-pyridinylmethylidene)-2-thiazolylidene]amino]benzoate IUPAC Name: 3-[[(5Z)-4-oxido-5-(pyridin-3-ylmethylidene)-1,3-thiazol-2-ylidene]amino]benzoate Traditional Name: 3-[[(5Z)-4-oxido-5-(3-pyridylmethylene)-3-thiazolin-2-ylidene]amino]benzoate Formula: C16H9N3O3S-2 MolecularWeight: 323.32596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=C2N=C(C(=CC3=CN=CC=C3)S2)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N=C2N=C(/C(=C/C3=CN=CC=C3)/S2)[O-])C(=O)[O-]

InChI

InChI=1S/C16H11N3O3S/c20-14-13(7-10-3-2-6-17-9-10)23-16(19-14)18-12-5-1-4-11(8-12)15(21)22/h1-9H,(H,21,22)(H,18,19,20)/p-2/b13-7-