4-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-sulfanyl-1,3,4-thiadiazolidin-4-ium-2-one

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-sulfanyl-1,3,4-thiadiazolidin-4-ium-2-one Openeye Name: 4-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-sulfanyl-1,3,4-thiadiazolidin-4-ium-2-one CAS Name: 4-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-3-mercapto-1,3,4-thiadiazolidin-4-ium-2-one IUPAC Name: 4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-sulfanyl-1,3,4-thiadiazolidin-4-ium-2-one Traditional Name: 4-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-3-mercapto-1,3,4-thiadiazolidin-4-ium-2-one Formula: C16H23N2O2S2+ MolecularWeight: 339.49602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=[N+]2CSC(=O)N2S)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=[N+]2CSC(=O)N2S)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C16H23N2O2S2/c1-15(2,3)11-7-10(17-9-22-14(20)18(17)21)8-12(13(11)19)16(4,5)6/h7-8,21H,9H2,1-6H3/q+1