6-butylsulfanyl-7-chloranyl-quinoline-5,8-dione

Systemtic Name: 6-butylsulfanyl-7-chloranyl-quinoline-5,8-dione Openeye Name: 6-butylsulfanyl-7-chloro-quinoline-5,8-dione CAS Name: 6-(butylthio)-7-chloroquinoline-5,8-dione IUPAC Name: 6-butylsulfanyl-7-chloroquinoline-5,8-dione Traditional Name: 6-(butylthio)-7-chloro-quinoline-5,8-quinone Formula: C13H12ClNO2S MolecularWeight: 281.75788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=O)C2=C(C1=O)C=CC=N2)Cl

Isomeric SMILES

CCCCSC1=C(C(=O)C2=C(C1=O)C=CC=N2)Cl

InChI

InChI=1S/C13H12ClNO2S/c1-2-3-7-18-13-9(14)12(17)10-8(11(13)16)5-4-6-15-10/h4-6H,2-3,7H2,1H3