3-[3-(2,3-dihydro-1H-inden-5-ylsulfanyl)propoxy]aniline

Systemtic Name: 3-[3-(2,3-dihydro-1H-inden-5-ylsulfanyl)propoxy]aniline Openeye Name: 3-(3-indan-5-ylsulfanylpropoxy)aniline CAS Name: 3-[3-(2,3-dihydro-1H-inden-5-ylthio)propoxy]aniline IUPAC Name: 3-[3-(2,3-dihydro-1H-inden-5-ylsulfanyl)propoxy]aniline Traditional Name: [3-[3-(indan-5-ylthio)propoxy]phenyl]amine Formula: C18H21NOS MolecularWeight: 299.43044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCCCOC3=CC=CC(=C3)N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCCCOC3=CC=CC(=C3)N

InChI

InChI=1S/C18H21NOS/c19-16-6-2-7-17(13-16)20-10-3-11-21-18-9-8-14-4-1-5-15(14)12-18/h2,6-9,12-13H,1,3-5,10-11,19H2