5-ethyl-5-methyl-3-phenethyl-2-prop-2-enylsulfanyl-6H-benzo[h]quinazolin-4-one

Systemtic Name: 5-ethyl-5-methyl-3-phenethyl-2-prop-2-enylsulfanyl-6H-benzo[h]quinazolin-4-one Openeye Name: 2-allylsulfanyl-5-ethyl-5-methyl-3-phenethyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-ethyl-5-methyl-3-phenethyl-2-(prop-2-enylthio)-6H-benzo[h]quinazolin-4-one IUPAC Name: 5-ethyl-5-methyl-3-phenethyl-2-prop-2-enylsulfanyl-6H-benzo[h]quinazolin-4-one Traditional Name: 2-(allylthio)-5-ethyl-5-methyl-3-phenethyl-6H-benzo[h]quinazolin-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC=C)CCC4=CC=CC=C4)C

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC=C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C26H28N2OS/c1-4-17-30-25-27-23-21-14-10-9-13-20(21)18-26(3,5-2)22(23)24(29)28(25)16-15-19-11-7-6-8-12-19/h4,6-14H,1,5,15-18H2,2-3H3