2-hexyl-N-(4-methyl-2-pyridin-4-ylsulfanyl-pyridin-3-yl)decanethioamide

Systemtic Name: 2-hexyl-N-(4-methyl-2-pyridin-4-ylsulfanyl-pyridin-3-yl)decanethioamide Openeye Name: 2-hexyl-N-[4-methyl-2-(4-pyridylsulfanyl)-3-pyridyl]decanethioamide CAS Name: 2-hexyl-N-[4-methyl-2-(pyridin-4-ylthio)-3-pyridinyl]decanethioamide IUPAC Name: 2-hexyl-N-(4-methyl-2-pyridin-4-ylsulfanylpyridin-3-yl)decanethioamide Traditional Name: 2-hexyl-N-[4-methyl-2-(4-pyridylthio)-3-pyridyl]thiocapramide Formula: C27H41N3S2 MolecularWeight: 471.76454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)C(=S)NC1=C(C=CN=C1SC2=CC=NC=C2)C

Isomeric SMILES

CCCCCCCCC(CCCCCC)C(=S)NC1=C(C=CN=C1SC2=CC=NC=C2)C

InChI

InChI=1S/C27H41N3S2/c1-4-6-8-10-11-13-15-23(14-12-9-7-5-2)26(31)30-25-22(3)16-21-29-27(25)32-24-17-19-28-20-18-24/h16-21,23H,4-15H2,1-3H3,(H,30,31)