2-[2-(phenylmethylsulfanyl)cyclohexa-1,5-dien-1-yl]-1-benzofuran

Systemtic Name: 2-[2-(phenylmethylsulfanyl)cyclohexa-1,5-dien-1-yl]-1-benzofuran Openeye Name: 2-(2-benzylsulfanylcyclohexa-1,5-dien-1-yl)benzofuran CAS Name: 2-[2-(phenylmethylthio)-1-cyclohexa-1,5-dienyl]benzofuran IUPAC Name: 2-(2-benzylsulfanylcyclohexa-1,5-dien-1-yl)-1-benzofuran Traditional Name: 2-[2-(benzylthio)cyclohexa-1,5-dien-1-yl]benzofuran Formula: C21H18OS MolecularWeight: 318.43202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1)C2=CC3=CC=CC=C3O2)SCC4=CC=CC=C4

Isomeric SMILES

C1CC(=C(C=C1)C2=CC3=CC=CC=C3O2)SCC4=CC=CC=C4

InChI

InChI=1S/C21H18OS/c1-2-8-16(9-3-1)15-23-21-13-7-5-11-18(21)20-14-17-10-4-6-12-19(17)22-20/h1-6,8-12,14H,7,13,15H2