4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]benzoic acid

Systemtic Name: 4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]benzoic acid Openeye Name: 4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]benzoic acid CAS Name: 4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3,4-thiadiazol-5-yl]benzoic acid IUPAC Name: 4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]benzoic acid Traditional Name: 4-[2-(4-ketocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]benzoic acid Formula: C15H10N2O3S MolecularWeight: 298.3165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2NN=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=O)C=CC1=C2NN=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H10N2O3S/c18-12-7-5-10(6-8-12)14-17-16-13(21-14)9-1-3-11(4-2-9)15(19)20/h1-8,17H,(H,19,20)