2-[3-[3-methyl-2-(pyridin-2-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[3-[3-methyl-2-(pyridin-2-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3-[[3-methyl-2-(2-pyridylsulfanylmethyl)-4-pyridyl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3-[[3-methyl-2-[(2-pyridinylthio)methyl]-4-pyridinyl]thio]propyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3-[3-methyl-2-(pyridin-2-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-[[3-methyl-2-[(2-pyridylthio)methyl]-4-pyridyl]thio]propyl]-3,4-dihydro-1H-isoquinoline Formula: C24H27N3S2 MolecularWeight: 421.62128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=CC=CC=N2)SCCCN3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=CN=C1CSC2=CC=CC=N2)SCCCN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H27N3S2/c1-19-22(18-29-24-9-4-5-12-26-24)25-13-10-23(19)28-16-6-14-27-15-11-20-7-2-3-8-21(20)17-27/h2-5,7-10,12-13H,6,11,14-18H2,1H3