(2,2-diethyl-3-methyl-1,2-oxazol-2-ium-3-id-5-yl)methanethiol

Systemtic Name: (2,2-diethyl-3-methyl-1,2-oxazol-2-ium-3-id-5-yl)methanethiol Openeye Name: (2,2-diethyl-3-methyl-isoxazol-2-ium-3-id-5-yl)methanethiol CAS Name: (2,2-diethyl-3-methyl-5-isoxazol-2-ium-3-idyl)methanethiol IUPAC Name: (2,2-diethyl-3-methyl-1,2-oxazol-2-ium-3-id-5-yl)methanethiol Traditional Name: (2,2-diethyl-3-methyl-4-isoxazolin-2-ium-3-id-5-yl)methanethiol Formula: C9H17NOS MolecularWeight: 187.30238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1([C-](C=C(O1)CS)C)CC

Isomeric SMILES

CC[N+]1([C-](C=C(O1)CS)C)CC

InChI

InChI=1S/C9H17NOS/c1-4-10(5-2)8(3)6-9(7-12)11-10/h6,12H,4-5,7H2,1-3H3