5-chloranyl-2-[3-(2,5-dimethylphenoxy)propylsulfanyl]aniline

Systemtic Name: 5-chloranyl-2-[3-(2,5-dimethylphenoxy)propylsulfanyl]aniline Openeye Name: 5-chloro-2-[3-(2,5-dimethylphenoxy)propylsulfanyl]aniline CAS Name: 5-chloro-2-[3-(2,5-dimethylphenoxy)propylthio]aniline IUPAC Name: 5-chloro-2-[3-(2,5-dimethylphenoxy)propylsulfanyl]aniline Traditional Name: [5-chloro-2-[3-(2,5-dimethylphenoxy)propylthio]phenyl]amine Formula: C17H20ClNOS MolecularWeight: 321.8648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCSC2=C(C=C(C=C2)Cl)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCSC2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C17H20ClNOS/c1-12-4-5-13(2)16(10-12)20-8-3-9-21-17-7-6-14(18)11-15(17)19/h4-7,10-11H,3,8-9,19H2,1-2H3