5-ethyl-3,4-dimethyl-2-oxidanidyl-4-phenylsulfanyl-1,2-oxazol-2-ium-5-ol

Systemtic Name: 5-ethyl-3,4-dimethyl-2-oxidanidyl-4-phenylsulfanyl-1,2-oxazol-2-ium-5-ol Openeye Name: 5-ethyl-3,4-dimethyl-2-oxido-4-phenylsulfanyl-isoxazol-2-ium-5-ol CAS Name: 5-ethyl-3,4-dimethyl-2-oxido-4-(phenylthio)-5-isoxazol-2-iumol IUPAC Name: 5-ethyl-3,4-dimethyl-2-oxido-4-phenylsulfanyl-1,2-oxazol-2-ium-5-ol Traditional Name: 5-ethyl-3,4-dimethyl-2-oxido-4-(phenylthio)-2-isoxazolin-2-ium-5-ol Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(=[N+](O1)[O-])C)(C)SC2=CC=CC=C2)O

Isomeric SMILES

CCC1(C(C(=[N+](O1)[O-])C)(C)SC2=CC=CC=C2)O

InChI

InChI=1S/C13H17NO3S/c1-4-13(15)12(3,10(2)14(16)17-13)18-11-8-6-5-7-9-11/h5-9,15H,4H2,1-3H3