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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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