4-(2,5-dimethylphenyl)sulfanyl-1-phenyl-but-2-yn-1-ol

Systemtic Name: 4-(2,5-dimethylphenyl)sulfanyl-1-phenyl-but-2-yn-1-ol Openeye Name: 4-(2,5-dimethylphenyl)sulfanyl-1-phenyl-but-2-yn-1-ol CAS Name: 4-[(2,5-dimethylphenyl)thio]-1-phenyl-2-butyn-1-ol IUPAC Name: 4-(2,5-dimethylphenyl)sulfanyl-1-phenylbut-2-yn-1-ol Traditional Name: 4-[(2,5-dimethylphenyl)thio]-1-phenyl-but-2-yn-1-ol Formula: C18H18OS MolecularWeight: 282.39992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC#CC(C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC#CC(C2=CC=CC=C2)O

InChI

InChI=1S/C18H18OS/c1-14-10-11-15(2)18(13-14)20-12-6-9-17(19)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17,19H,12H2,1-2H3