(3S,8aS)-3-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine

Systemtic Name: (3S,8aS)-3-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine Openeye Name: (3S,8aS)-3-[4-(4-pyridylsulfanyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine CAS Name: (3S,8aS)-3-[4-(pyridin-4-ylthio)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine IUPAC Name: (3S,8aS)-3-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine Traditional Name: (3S,8aS)-3-[4-(4-pyridylthio)phenyl]indolizidine Formula: C19H22N2S MolecularWeight: 310.45638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(C1)CCC2C3=CC=C(C=C3)SC4=CC=NC=C4

Isomeric SMILES

C1CCN2[C@@H](C1)CC[C@H]2C3=CC=C(C=C3)SC4=CC=NC=C4

InChI

InChI=1S/C19H22N2S/c1-2-14-21-16(3-1)6-9-19(21)15-4-7-17(8-5-15)22-18-10-12-20-13-11-18/h4-5,7-8,10-13,16,19H,1-3,6,9,14H2/t16-,19-/m0/s1