2-chloranyl-5-[3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]benzoic acid Openeye Name: 2-chloro-5-[3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-thioxo-1,2,4-triazolidin-4-yl]benzoic acid CAS Name: 2-chloro-5-[3-(6-oxo-1-cyclohexa-2,4-dienylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]benzoic acid IUPAC Name: 2-chloro-5-[3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]benzoic acid Traditional Name: 2-chloro-5-[3-(6-ketocyclohexa-2,4-dien-1-ylidene)-5-thioxo-1,2,4-triazolidin-4-yl]benzoic acid Formula: C15H10ClN3O3S MolecularWeight: 347.7762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)O)C(=O)C=C1

Isomeric SMILES

C1=CC(=C2NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)O)C(=O)C=C1

InChI

InChI=1S/C15H10ClN3O3S/c16-11-6-5-8(7-10(11)14(21)22)19-13(17-18-15(19)23)9-3-1-2-4-12(9)20/h1-7,17H,(H,18,23)(H,21,22)