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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NOS/c1-14-7-8-18(11-15(14)2)21-10-4-9-20-17-6-3-5-16(12-17)13-19/h3,5-8,11-12H,4,9-10,13,19H2,1-2H3