3,5,5-trimethyl-2-methylsulfanyl-6H-benzo[h]quinazolin-4-one

Systemtic Name: 3,5,5-trimethyl-2-methylsulfanyl-6H-benzo[h]quinazolin-4-one Openeye Name: 3,5,5-trimethyl-2-methylsulfanyl-6H-benzo[h]quinazolin-4-one CAS Name: 3,5,5-trimethyl-2-(methylthio)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3,5,5-trimethyl-2-methylsulfanyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3,5,5-trimethyl-2-(methylthio)-6H-benzo[h]quinazolin-4-one Formula: C16H18N2OS MolecularWeight: 286.39192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2OS/c1-16(2)9-10-7-5-6-8-11(10)13-12(16)14(19)18(3)15(17-13)20-4/h5-8H,9H2,1-4H3