2-hexylsulfanyl-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 2-hexylsulfanyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-hexylsulfanyl-3-(o-tolyl)quinazolin-4-one CAS Name: 2-(hexylthio)-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-hexylsulfanyl-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-(hexylthio)-3-(o-tolyl)quinazolin-4-one Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

Isomeric SMILES

CCCCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

InChI

InChI=1S/C21H24N2OS/c1-3-4-5-10-15-25-21-22-18-13-8-7-12-17(18)20(24)23(21)19-14-9-6-11-16(19)2/h6-9,11-14H,3-5,10,15H2,1-2H3