2-octylsulfanyl-1H-quinazolin-4-one

Systemtic Name: 2-octylsulfanyl-1H-quinazolin-4-one Openeye Name: 2-octylsulfanyl-1H-quinazolin-4-one CAS Name: 2-(octylthio)-1H-quinazolin-4-one IUPAC Name: 2-octylsulfanyl-1H-quinazolin-4-one Traditional Name: 2-(octylthio)-1H-quinazolin-4-one Formula: C16H22N2OS MolecularWeight: 290.42368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CCCCCCCCSC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C16H22N2OS/c1-2-3-4-5-6-9-12-20-16-17-14-11-8-7-10-13(14)15(19)18-16/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18,19)