1-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone

Systemtic Name: 1-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Openeye Name: 1-(2-benzylsulfanylbenzimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone CAS Name: 1-[2-(phenylmethylthio)-1-benzimidazolyl]-2-(2,4,6-trimethylphenoxy)ethanone IUPAC Name: 1-(2-benzylsulfanylbenzimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone Traditional Name: 1-[2-(benzylthio)benzimidazol-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)N2C3=CC=CC=C3N=C2SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)N2C3=CC=CC=C3N=C2SCC4=CC=CC=C4)C

InChI

InChI=1S/C25H24N2O2S/c1-17-13-18(2)24(19(3)14-17)29-15-23(28)27-22-12-8-7-11-21(22)26-25(27)30-16-20-9-5-4-6-10-20/h4-14H,15-16H2,1-3H3