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

Systemtic Name: 5-butyl-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole Openeye Name: 5-butyl-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole CAS Name: 5-butyl-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole IUPAC Name: 5-butyl-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole Traditional Name: 5-butyl-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole Formula: C26H32N2S MolecularWeight: 404.61068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC=C2CSCCC3CC(=CCN3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC=C2CSCCC3CC(=CCN3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N2S/c1-2-3-7-20-10-11-26-25(16-20)23(18-28-26)19-29-15-13-24-17-22(12-14-27-24)21-8-5-4-6-9-21/h4-6,8-12,16,18,24,27-28H,2-3,7,13-15,17,19H2,1H3