1-[bis[4-(2-methylpropyl)phenyl]methylsulfanyl]-3-bromanyl-benzene

Systemtic Name: 1-[bis[4-(2-methylpropyl)phenyl]methylsulfanyl]-3-bromanyl-benzene Openeye Name: 1-[bis(4-isobutylphenyl)methylsulfanyl]-3-bromo-benzene CAS Name: 1-[bis[4-(2-methylpropyl)phenyl]methylthio]-3-bromobenzene IUPAC Name: 1-[bis[4-(2-methylpropyl)phenyl]methylsulfanyl]-3-bromobenzene Traditional Name: 1-[bis(4-isobutylphenyl)methylthio]-3-bromo-benzene Formula: C27H31BrS MolecularWeight: 467.50404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)SC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)SC3=CC(=CC=C3)Br

InChI

InChI=1S/C27H31BrS/c1-19(2)16-21-8-12-23(13-9-21)27(29-26-7-5-6-25(28)18-26)24-14-10-22(11-15-24)17-20(3)4/h5-15,18-20,27H,16-17H2,1-4H3