5,5-dimethyl-3-(phenylmethylsulfanyl)-4H-1,2-oxazole

Systemtic Name: 5,5-dimethyl-3-(phenylmethylsulfanyl)-4H-1,2-oxazole Openeye Name: 3-benzylsulfanyl-5,5-dimethyl-4H-isoxazole CAS Name: 5,5-dimethyl-3-(phenylmethylthio)-4H-isoxazole IUPAC Name: 3-benzylsulfanyl-5,5-dimethyl-4H-1,2-oxazole Traditional Name: 3-(benzylthio)-5,5-dimethyl-2-isoxazoline Formula: C12H15NOS MolecularWeight: 221.3186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NO1)SCC2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(=NO1)SCC2=CC=CC=C2)C

InChI

InChI=1S/C12H15NOS/c1-12(2)8-11(13-14-12)15-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3