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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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