3-butylsulfanyl-1-methyl-2-oxidanyl-quinolin-4-one

Systemtic Name: 3-butylsulfanyl-1-methyl-2-oxidanyl-quinolin-4-one Openeye Name: 3-butylsulfanyl-2-hydroxy-1-methyl-quinolin-4-one CAS Name: 3-(butylthio)-2-hydroxy-1-methyl-4-quinolinone IUPAC Name: 3-butylsulfanyl-2-hydroxy-1-methylquinolin-4-one Traditional Name: 3-(butylthio)-2-hydroxy-1-methyl-4-quinolone Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(N(C2=CC=CC=C2C1=O)C)O

Isomeric SMILES

CCCCSC1=C(N(C2=CC=CC=C2C1=O)C)O

InChI

InChI=1S/C14H17NO2S/c1-3-4-9-18-13-12(16)10-7-5-6-8-11(10)15(2)14(13)17/h5-8,17H,3-4,9H2,1-2H3