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

Systemtic Name: 2-hexylsulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-hexylsulfanyl-quinazolin-4-one CAS Name: 2-(hexylthio)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-hexylsulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-(hexylthio)quinazolin-4-one Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCCCCCSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2OS/c1-2-3-4-10-15-25-21-22-19-14-9-8-13-18(19)20(24)23(21)16-17-11-6-5-7-12-17/h5-9,11-14H,2-4,10,15-16H2,1H3