5,5-dimethyl-2-methylsulfanyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one

Systemtic Name: 5,5-dimethyl-2-methylsulfanyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-5,5-dimethyl-2-methylsulfanyl-6H-benzo[h]quinazolin-4-one CAS Name: 5,5-dimethyl-2-(methylthio)-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-5,5-dimethyl-2-methylsulfanyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3-benzyl-5,5-dimethyl-2-(methylthio)-6H-benzo[h]quinazolin-4-one Formula: C22H22N2OS MolecularWeight: 362.48788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SC)CC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SC)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N2OS/c1-22(2)13-16-11-7-8-12-17(16)19-18(22)20(25)24(21(23-19)26-3)14-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3