2-[[4-(2-methylbutan-2-yl)phenyl]methylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[[4-(2-methylbutan-2-yl)phenyl]methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[[4-(1,1-dimethylpropyl)phenyl]methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[[4-(2-methylbutan-2-yl)phenyl]methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[[4-(2-methylbutan-2-yl)phenyl]methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[(4-tert-amylbenzyl)thio]-1-oxido-pyridin-1-ium Formula: C17H21NOS MolecularWeight: 287.41974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H21NOS/c1-4-17(2,3)15-10-8-14(9-11-15)13-20-16-7-5-6-12-18(16)19/h5-12H,4,13H2,1-3H3