[3-bromanyl-5-(5-tert-butyl-1,3-dithian-2-yl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]azaniumylideneazanide

Systemtic Name: [3-bromanyl-5-(5-tert-butyl-1,3-dithian-2-yl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]azaniumylideneazanide Openeye Name: [3-bromo-5-(5-tert-butyl-1,3-dithian-2-yl)-4-oxo-cyclohexa-2,5-dien-1-yl]iminioazanide CAS Name: [3-bromo-5-(5-tert-butyl-1,3-dithian-2-yl)-4-oxo-1-cyclohexa-2,5-dienyl]iminioazanide IUPAC Name: [3-bromo-5-(5-tert-butyl-1,3-dithian-2-yl)-4-oxocyclohexa-2,5-dien-1-yl]azaniumylideneazanide Traditional Name: [3-bromo-5-(5-tert-butyl-1,3-dithian-2-yl)-4-keto-cyclohexa-2,5-dien-1-yl]iminioazanide Formula: C14H19BrN2OS2 MolecularWeight: 375.34746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CSC(SC1)C2=CC(C=C(C2=O)Br)[NH+]=[N-]

Isomeric SMILES

CC(C)(C)C1CSC(SC1)C2=CC(C=C(C2=O)Br)[NH+]=[N-]

InChI

InChI=1S/C14H19BrN2OS2/c1-14(2,3)8-6-19-13(20-7-8)10-4-9(17-16)5-11(15)12(10)18/h4-5,8-9,13,17H,6-7H2,1-3H3