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

Systemtic Name: 2-heptylsulfanyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-heptylsulfanyl-3-(o-tolyl)quinazolin-4-one CAS Name: 2-(heptylthio)-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-heptylsulfanyl-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-(heptylthio)-3-(o-tolyl)quinazolin-4-one Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

Isomeric SMILES

CCCCCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

InChI

InChI=1S/C22H26N2OS/c1-3-4-5-6-11-16-26-22-23-19-14-9-8-13-18(19)21(25)24(22)20-15-10-7-12-17(20)2/h7-10,12-15H,3-6,11,16H2,1-2H3