3-cyano-N-methyl-2-methylsulfanyl-N-(4-oxidanylbutyl)naphthalene-1-carboxamide

Systemtic Name: 3-cyano-N-methyl-2-methylsulfanyl-N-(4-oxidanylbutyl)naphthalene-1-carboxamide Openeye Name: 3-cyano-N-(4-hydroxybutyl)-N-methyl-2-methylsulfanyl-naphthalene-1-carboxamide CAS Name: 3-cyano-N-(4-hydroxybutyl)-N-methyl-2-(methylthio)-1-naphthalenecarboxamide IUPAC Name: 3-cyano-N-(4-hydroxybutyl)-N-methyl-2-methylsulfanylnaphthalene-1-carboxamide Traditional Name: 3-cyano-N-(4-hydroxybutyl)-N-methyl-2-(methylthio)-1-naphthamide Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCO)C(=O)C1=C(C(=CC2=CC=CC=C21)C#N)SC

Isomeric SMILES

CN(CCCCO)C(=O)C1=C(C(=CC2=CC=CC=C21)C#N)SC

InChI

InChI=1S/C18H20N2O2S/c1-20(9-5-6-10-21)18(22)16-15-8-4-3-7-13(15)11-14(12-19)17(16)23-2/h3-4,7-8,11,21H,5-6,9-10H2,1-2H3