2-[2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]-2-sulfanylidene-ethanoic acid

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]-2-sulfanylidene-ethanoic acid Openeye Name: 2-[2-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]-2-thioxo-acetic acid CAS Name: 2-[2-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3,4-thiadiazol-5-yl]-2-sulfanylideneacetic acid IUPAC Name: 2-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]-2-sulfanylideneacetic acid Traditional Name: 2-[2-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]-2-thioxo-acetic acid Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NN=C(S2)C(=S)C(=O)O)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2NN=C(S2)C(=S)C(=O)O)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C18H22N2O3S2/c1-17(2,3)10-7-9(8-11(12(10)21)18(4,5)6)14-19-20-15(25-14)13(24)16(22)23/h7-8,19H,1-6H3,(H,22,23)