3-(4-methoxyphenyl)-1-[4-methoxy-2-(phenylmethylsulfanyl)-5-propan-2-yloxy-phenyl]prop-2-yn-1-ol

Systemtic Name: 3-(4-methoxyphenyl)-1-[4-methoxy-2-(phenylmethylsulfanyl)-5-propan-2-yloxy-phenyl]prop-2-yn-1-ol Openeye Name: 1-(2-benzylsulfanyl-5-isopropoxy-4-methoxy-phenyl)-3-(4-methoxyphenyl)prop-2-yn-1-ol CAS Name: 3-(4-methoxyphenyl)-1-[4-methoxy-2-(phenylmethylthio)-5-propan-2-yloxyphenyl]-2-propyn-1-ol IUPAC Name: 1-(2-benzylsulfanyl-4-methoxy-5-propan-2-yloxyphenyl)-3-(4-methoxyphenyl)prop-2-yn-1-ol Traditional Name: 1-[2-(benzylthio)-5-isopropoxy-4-methoxy-phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol Formula: C27H28O4S MolecularWeight: 448.57382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C(=C1)C(C#CC2=CC=C(C=C2)OC)O)SCC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C(=C1)C(C#CC2=CC=C(C=C2)OC)O)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C27H28O4S/c1-19(2)31-26-16-23(24(28)15-12-20-10-13-22(29-3)14-11-20)27(17-25(26)30-4)32-18-21-8-6-5-7-9-21/h5-11,13-14,16-17,19,24,28H,18H2,1-4H3