1-[3-[3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropyl]-1,2,3,4-tetrahydroisoquinoline

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=CC=NC=C2)SCCCC3C4=CC=CC=C4CCN3

Isomeric SMILES

CC1=C(C=CN=C1CSC2=CC=NC=C2)SCCCC3C4=CC=CC=C4CCN3

InChI

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