2-[[4-bromanyl-2,5-di(propan-2-yl)phenyl]methylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[[4-bromanyl-2,5-di(propan-2-yl)phenyl]methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(4-bromo-2,5-diisopropyl-phenyl)methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[[4-bromo-2,5-di(propan-2-yl)phenyl]methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[[4-bromo-2,5-di(propan-2-yl)phenyl]methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[(4-bromo-2,5-diisopropyl-benzyl)thio]-1-oxido-pyridin-1-ium Formula: C18H22BrNOS MolecularWeight: 380.34238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1CSC2=CC=CC=[N+]2[O-])C(C)C)Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1CSC2=CC=CC=[N+]2[O-])C(C)C)Br

InChI

InChI=1S/C18H22BrNOS/c1-12(2)15-10-17(19)16(13(3)4)9-14(15)11-22-18-7-5-6-8-20(18)21/h5-10,12-13H,11H2,1-4H3