1-tert-butyl-4-phenylsulfanyl-benzene

Systemtic Name: 1-tert-butyl-4-phenylsulfanyl-benzene Openeye Name: 1-tert-butyl-4-phenylsulfanyl-benzene CAS Name: 1-tert-butyl-4-(phenylthio)benzene IUPAC Name: 1-tert-butyl-4-phenylsulfanylbenzene Traditional Name: 1-tert-butyl-4-(phenylthio)benzene Formula: C16H18S MolecularWeight: 242.37912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC=C2

InChI

InChI=1S/C16H18S/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12H,1-3H3