1-methyl-7-methylsulfanyl-3-(methylsulfonylmethyl)quinolin-4-one

Systemtic Name: 1-methyl-7-methylsulfanyl-3-(methylsulfonylmethyl)quinolin-4-one Openeye Name: 1-methyl-7-methylsulfanyl-3-(methylsulfonylmethyl)quinolin-4-one CAS Name: 1-methyl-3-(methylsulfonylmethyl)-7-(methylthio)-4-quinolinone IUPAC Name: 1-methyl-7-methylsulfanyl-3-(methylsulfonylmethyl)quinolin-4-one Traditional Name: 3-(mesylmethyl)-1-methyl-7-(methylthio)-4-quinolone Formula: C13H15NO3S2 MolecularWeight: 297.3931

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=C(C=C2)SC)CS(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=C(C=C2)SC)CS(=O)(=O)C

InChI

InChI=1S/C13H15NO3S2/c1-14-7-9(8-19(3,16)17)13(15)11-5-4-10(18-2)6-12(11)14/h4-7H,8H2,1-3H3