[4-[3-(2,5-dimethylphenyl)sulfanylpropoxy]phenyl]methanamine

Systemtic Name: [4-[3-(2,5-dimethylphenyl)sulfanylpropoxy]phenyl]methanamine Openeye Name: [4-[3-(2,5-dimethylphenyl)sulfanylpropoxy]phenyl]methanamine CAS Name: [4-[3-[(2,5-dimethylphenyl)thio]propoxy]phenyl]methanamine IUPAC Name: [4-[3-(2,5-dimethylphenyl)sulfanylpropoxy]phenyl]methanamine Traditional Name: [4-[3-[(2,5-dimethylphenyl)thio]propoxy]benzyl]amine Formula: C18H23NOS MolecularWeight: 301.44632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NOS/c1-14-4-5-15(2)18(12-14)21-11-3-10-20-17-8-6-16(13-19)7-9-17/h4-9,12H,3,10-11,13,19H2,1-2H3