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

Systemtic Name: 3-chloranyl-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]aniline Openeye Name: 3-chloro-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]aniline CAS Name: 3-chloro-2-[3-(3,5-dimethylphenoxy)propylthio]aniline IUPAC Name: 3-chloro-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]aniline Traditional Name: [3-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=CC=C2Cl)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCSC2=C(C=CC=C2Cl)N)C

InChI

InChI=1S/C17H20ClNOS/c1-12-9-13(2)11-14(10-12)20-7-4-8-21-17-15(18)5-3-6-16(17)19/h3,5-6,9-11H,4,7-8,19H2,1-2H3