5,5-dimethyl-3-(2-methylprop-2-enyl)-2-(phenylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one

Systemtic Name: 5,5-dimethyl-3-(2-methylprop-2-enyl)-2-(phenylmethylsulfanyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 2-benzylsulfanyl-5,5-dimethyl-3-(2-methylallyl)-6H-benzo[h]quinazolin-4-one CAS Name: 5,5-dimethyl-3-(2-methylprop-2-enyl)-2-(phenylmethylthio)-6H-benzo[h]quinazolin-4-one IUPAC Name: 2-benzylsulfanyl-5,5-dimethyl-3-(2-methylprop-2-enyl)-6H-benzo[h]quinazolin-4-one Traditional Name: 2-(benzylthio)-5,5-dimethyl-3-(2-methylallyl)-6H-benzo[h]quinazolin-4-one Formula: C25H26N2OS MolecularWeight: 402.55174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC2(C)C)N=C1SCC4=CC=CC=C4

Isomeric SMILES

CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC2(C)C)N=C1SCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2OS/c1-17(2)15-27-23(28)21-22(20-13-9-8-12-19(20)14-25(21,3)4)26-24(27)29-16-18-10-6-5-7-11-18/h5-13H,1,14-16H2,2-4H3