1-methyl-2-(2-oxidanylidenehexylsulfanyl)-3-phenyl-quinazolin-1-ium-4-one

Systemtic Name: 1-methyl-2-(2-oxidanylidenehexylsulfanyl)-3-phenyl-quinazolin-1-ium-4-one Openeye Name: 1-methyl-2-(2-oxohexylsulfanyl)-3-phenyl-quinazolin-1-ium-4-one CAS Name: 1-methyl-2-(2-oxohexylthio)-3-phenyl-4-quinazolin-1-iumone IUPAC Name: 1-methyl-2-(2-oxohexylsulfanyl)-3-phenylquinazolin-1-ium-4-one Traditional Name: 2-(2-ketohexylthio)-1-methyl-3-phenyl-quinazolin-1-ium-4-one Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CSC1=[N+](C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C

Isomeric SMILES

CCCCC(=O)CSC1=[N+](C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C

InChI

InChI=1S/C21H23N2O2S/c1-3-4-12-17(24)15-26-21-22(2)19-14-9-8-13-18(19)20(25)23(21)16-10-6-5-7-11-16/h5-11,13-14H,3-4,12,15H2,1-2H3/q+1