3-butyl-2-[2-butyl-6-(4-methylphenyl)phenyl]benzenethiol

Systemtic Name: 3-butyl-2-[2-butyl-6-(4-methylphenyl)phenyl]benzenethiol Openeye Name: 3-butyl-2-[2-butyl-6-(p-tolyl)phenyl]benzenethiol CAS Name: 3-butyl-2-[2-butyl-6-(4-methylphenyl)phenyl]benzenethiol IUPAC Name: 3-butyl-2-[2-butyl-6-(4-methylphenyl)phenyl]benzenethiol Traditional Name: 3-butyl-2-[2-butyl-6-(p-tolyl)phenyl]benzenethiol Formula: C27H32S MolecularWeight: 388.60798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)S)C2=C(C=CC=C2CCCC)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=C(C(=CC=C1)S)C2=C(C=CC=C2CCCC)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H32S/c1-4-6-10-22-12-8-14-24(21-18-16-20(3)17-19-21)26(22)27-23(11-7-5-2)13-9-15-25(27)28/h8-9,12-19,28H,4-7,10-11H2,1-3H3