7-chloranyl-3-heptylsulfanyl-2-oxidanyl-1H-quinolin-4-one

Systemtic Name: 7-chloranyl-3-heptylsulfanyl-2-oxidanyl-1H-quinolin-4-one Openeye Name: 7-chloro-3-heptylsulfanyl-2-hydroxy-1H-quinolin-4-one CAS Name: 7-chloro-3-(heptylthio)-2-hydroxy-1H-quinolin-4-one IUPAC Name: 7-chloro-3-heptylsulfanyl-2-hydroxy-1H-quinolin-4-one Traditional Name: 7-chloro-3-(heptylthio)-2-hydroxy-4-quinolone Formula: C16H20ClNO2S MolecularWeight: 325.8535

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=C(NC2=C(C1=O)C=CC(=C2)Cl)O

Isomeric SMILES

CCCCCCCSC1=C(NC2=C(C1=O)C=CC(=C2)Cl)O

InChI

InChI=1S/C16H20ClNO2S/c1-2-3-4-5-6-9-21-15-14(19)12-8-7-11(17)10-13(12)18-16(15)20/h7-8,10H,2-6,9H2,1H3,(H2,18,19,20)