5-butoxy-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole

Systemtic Name: 5-butoxy-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole Openeye Name: 5-butoxy-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole CAS Name: 5-butoxy-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole IUPAC Name: 5-butoxy-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole Traditional Name: 5-butoxy-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole Formula: C26H32N2OS MolecularWeight: 420.61008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)NC=C2CSCCC3CC(=CCN3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)NC=C2CSCCC3CC(=CCN3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N2OS/c1-2-3-14-29-24-9-10-26-25(17-24)22(18-28-26)19-30-15-12-23-16-21(11-13-27-23)20-7-5-4-6-8-20/h4-11,17-18,23,27-28H,2-3,12-16,19H2,1H3