1-(4-methyl-2-prop-2-enyl-phenoxy)-3-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]propan-2-ol

Systemtic Name: 1-(4-methyl-2-prop-2-enyl-phenoxy)-3-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]propan-2-ol Openeye Name: 1-(2-allyl-4-methyl-phenoxy)-3-(2-benzylsulfanylbenzimidazol-1-yl)propan-2-ol CAS Name: 1-(4-methyl-2-prop-2-enylphenoxy)-3-[2-(phenylmethylthio)-1-benzimidazolyl]-2-propanol IUPAC Name: 1-(2-benzylsulfanylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol Traditional Name: 1-(2-allyl-4-methyl-phenoxy)-3-[2-(benzylthio)benzimidazol-1-yl]propan-2-ol Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4)O)CC=C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4)O)CC=C

InChI

InChI=1S/C27H28N2O2S/c1-3-9-22-16-20(2)14-15-26(22)31-18-23(30)17-29-25-13-8-7-12-24(25)28-27(29)32-19-21-10-5-4-6-11-21/h3-8,10-16,23,30H,1,9,17-19H2,2H3