5-(4-methylpentylsulfanylmethyl)-1-benzothiophene

Systemtic Name: 5-(4-methylpentylsulfanylmethyl)-1-benzothiophene Openeye Name: 5-(isohexylsulfanylmethyl)benzothiophene CAS Name: 5-[(4-methylpentylthio)methyl]-1-benzothiophene IUPAC Name: 5-(4-methylpentylsulfanylmethyl)-1-benzothiophene Traditional Name: 5-[(isohexylthio)methyl]benzothiophene Formula: C15H20S2 MolecularWeight: 264.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCSCC1=CC2=C(C=C1)SC=C2

Isomeric SMILES

CC(C)CCCSCC1=CC2=C(C=C1)SC=C2

InChI

InChI=1S/C15H20S2/c1-12(2)4-3-8-16-11-13-5-6-15-14(10-13)7-9-17-15/h5-7,9-10,12H,3-4,8,11H2,1-2H3