3-cyclohexylsulfanyl-1-methyl-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 3-cyclohexylsulfanyl-1-methyl-4-oxidanylidene-quinolin-2-olate Openeye Name: 3-cyclohexylsulfanyl-1-methyl-4-oxo-quinolin-2-olate CAS Name: 3-(cyclohexylthio)-1-methyl-4-oxo-2-quinolinolate IUPAC Name: 3-cyclohexylsulfanyl-1-methyl-4-oxoquinolin-2-olate Traditional Name: 3-(cyclohexylthio)-4-keto-1-methyl-quinolin-2-olate Formula: C16H18NO2S- MolecularWeight: 288.38462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1[O-])SC3CCCCC3

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1[O-])SC3CCCCC3

InChI

InChI=1S/C16H19NO2S/c1-17-13-10-6-5-9-12(13)14(18)15(16(17)19)20-11-7-3-2-4-8-11/h5-6,9-11,19H,2-4,7-8H2,1H3/p-1