3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2,4-thiadiazole-5-carboxylate

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2,4-thiadiazole-5-carboxylate Openeye Name: 3-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,2,4-thiadiazole-5-carboxylate CAS Name: 3-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1,2,4-thiadiazole-5-carboxylate IUPAC Name: 3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-thiadiazole-5-carboxylate Traditional Name: 3-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-1,2,4-thiadiazole-5-carboxylate Formula: C17H21N2O3S- MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NSC(=N2)C(=O)[O-])C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2NSC(=N2)C(=O)[O-])C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C17H22N2O3S/c1-16(2,3)10-7-9(8-11(12(10)20)17(4,5)6)13-18-14(15(21)22)23-19-13/h7-8,19H,1-6H3,(H,21,22)/p-1