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

Systemtic Name: 3-(2-methylphenyl)-2-pentylsulfanyl-quinazolin-4-one Openeye Name: 3-(o-tolyl)-2-pentylsulfanyl-quinazolin-4-one CAS Name: 3-(2-methylphenyl)-2-(pentylthio)-4-quinazolinone IUPAC Name: 3-(2-methylphenyl)-2-pentylsulfanylquinazolin-4-one Traditional Name: 2-(amylthio)-3-(o-tolyl)quinazolin-4-one Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

Isomeric SMILES

CCCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

InChI

InChI=1S/C20H22N2OS/c1-3-4-9-14-24-20-21-17-12-7-6-11-16(17)19(23)22(20)18-13-8-5-10-15(18)2/h5-8,10-13H,3-4,9,14H2,1-2H3