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

Systemtic Name: 4-[[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3,4-oxadiazol-5-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2-(4-ketocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]thio]methyl]benzoic acid Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2NN=C(O2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=O)C=CC1=C2NN=C(O2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H12N2O4S/c19-13-7-5-11(6-8-13)14-17-18-16(22-14)23-9-10-1-3-12(4-2-10)15(20)21/h1-8,17H,9H2,(H,20,21)