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

Systemtic Name: 2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-methyl-aniline Openeye Name: 2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-methyl-aniline CAS Name: 2-[3-(3,5-dimethylphenoxy)propylthio]-5-methylaniline IUPAC Name: 2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-methylaniline Traditional Name: [2-[3-(3,5-dimethylphenoxy)propylthio]-5-methyl-phenyl]amine Formula: C18H23NOS MolecularWeight: 301.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCCCOC2=CC(=CC(=C2)C)C)N

Isomeric SMILES

CC1=CC(=C(C=C1)SCCCOC2=CC(=CC(=C2)C)C)N

InChI

InChI=1S/C18H23NOS/c1-13-5-6-18(17(19)12-13)21-8-4-7-20-16-10-14(2)9-15(3)11-16/h5-6,9-12H,4,7-8,19H2,1-3H3