2-[(2,5-dimethylphenyl)methylsulfanyl]-3-propyl-quinazolin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-propyl-4-quinazolinone IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-propyl-quinazolin-4-one Formula: C20H22N2OS MolecularWeight: 338.46648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)C)C

InChI

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