2-[[4-(4-phenylbutoxy)phenyl]methylsulfanyl]aniline

Systemtic Name: 2-[[4-(4-phenylbutoxy)phenyl]methylsulfanyl]aniline Openeye Name: 2-[[4-(4-phenylbutoxy)phenyl]methylsulfanyl]aniline CAS Name: 2-[[4-(4-phenylbutoxy)phenyl]methylthio]aniline IUPAC Name: 2-[[4-(4-phenylbutoxy)phenyl]methylsulfanyl]aniline Traditional Name: [2-[[4-(4-phenylbutoxy)benzyl]thio]phenyl]amine Formula: C23H25NOS MolecularWeight: 363.5157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)CSC3=CC=CC=C3N

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)CSC3=CC=CC=C3N

InChI

InChI=1S/C23H25NOS/c24-22-11-4-5-12-23(22)26-18-20-13-15-21(16-14-20)25-17-7-6-10-19-8-2-1-3-9-19/h1-5,8-9,11-16H,6-7,10,17-18,24H2