2-methyl-4-(3-methylsulfanylphenyl)but-3-yn-2-ol

Systemtic Name: 2-methyl-4-(3-methylsulfanylphenyl)but-3-yn-2-ol Openeye Name: 2-methyl-4-(3-methylsulfanylphenyl)but-3-yn-2-ol CAS Name: 2-methyl-4-[3-(methylthio)phenyl]-3-butyn-2-ol IUPAC Name: 2-methyl-4-(3-methylsulfanylphenyl)but-3-yn-2-ol Traditional Name: 2-methyl-4-[3-(methylthio)phenyl]but-3-yn-2-ol Formula: C12H14OS MolecularWeight: 206.30396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC=C1)SC)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)SC)O

InChI

InChI=1S/C12H14OS/c1-12(2,13)8-7-10-5-4-6-11(9-10)14-3/h4-6,9,13H,1-3H3