5-phenyl-1-(2,4,6-trimethylphenyl)sulfanyl-pent-1-yn-3-ol

Systemtic Name: 5-phenyl-1-(2,4,6-trimethylphenyl)sulfanyl-pent-1-yn-3-ol Openeye Name: 5-phenyl-1-(2,4,6-trimethylphenyl)sulfanyl-pent-1-yn-3-ol CAS Name: 5-phenyl-1-[(2,4,6-trimethylphenyl)thio]-1-pentyn-3-ol IUPAC Name: 5-phenyl-1-(2,4,6-trimethylphenyl)sulfanylpent-1-yn-3-ol Traditional Name: 1-(mesitylthio)-5-phenyl-pent-1-yn-3-ol Formula: C20H22OS MolecularWeight: 310.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SC#CC(CCC2=CC=CC=C2)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SC#CC(CCC2=CC=CC=C2)O)C

InChI

InChI=1S/C20H22OS/c1-15-13-16(2)20(17(3)14-15)22-12-11-19(21)10-9-18-7-5-4-6-8-18/h4-8,13-14,19,21H,9-10H2,1-3H3