hexane; N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-2-oxidanyl-2-phenyl-ethanamide

Systemtic Name: hexane; N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-2-oxidanyl-2-phenyl-ethanamide Openeye Name: hexane; 2-hydroxy-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-2-phenyl-acetamide CAS Name: hexane; 2-hydroxy-N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-2-phenylacetamide IUPAC Name: hexane; 2-hydroxy-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-2-phenylacetamide Traditional Name: 2-hydroxy-N-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-2-phenyl-acetamide; n-hexane Formula: C22H32N2O2S2 MolecularWeight: 420.63168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CC1=NC(=C(C(=C1)SC)NC(=O)C(C2=CC=CC=C2)O)SC

Isomeric SMILES

CCCCCC.CC1=NC(=C(C(=C1)SC)NC(=O)C(C2=CC=CC=C2)O)SC

InChI

InChI=1S/C16H18N2O2S2.C6H14/c1-10-9-12(21-2)13(16(17-10)22-3)18-15(20)14(19)11-7-5-4-6-8-11;1-3-5-6-4-2/h4-9,14,19H,1-3H3,(H,18,20);3-6H2,1-2H3