3-[3-(2,5-dimethylphenyl)sulfanylpropoxy]aniline

Systemtic Name: 3-[3-(2,5-dimethylphenyl)sulfanylpropoxy]aniline Openeye Name: 3-[3-(2,5-dimethylphenyl)sulfanylpropoxy]aniline CAS Name: 3-[3-[(2,5-dimethylphenyl)thio]propoxy]aniline IUPAC Name: 3-[3-(2,5-dimethylphenyl)sulfanylpropoxy]aniline Traditional Name: [3-[3-[(2,5-dimethylphenyl)thio]propoxy]phenyl]amine Formula: C17H21NOS MolecularWeight: 287.41974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NOS/c1-13-7-8-14(2)17(11-13)20-10-4-9-19-16-6-3-5-15(18)12-16/h3,5-8,11-12H,4,9-10,18H2,1-2H3