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

Systemtic Name: 5,5-dimethyl-3-(2-methylprop-2-enyl)-2-phenethylsulfanyl-6H-benzo[h]quinazolin-4-one Openeye Name: 5,5-dimethyl-3-(2-methylallyl)-2-phenethylsulfanyl-6H-benzo[h]quinazolin-4-one CAS Name: 5,5-dimethyl-3-(2-methylprop-2-enyl)-2-(phenethylthio)-6H-benzo[h]quinazolin-4-one IUPAC Name: 5,5-dimethyl-3-(2-methylprop-2-enyl)-2-phenethylsulfanyl-6H-benzo[h]quinazolin-4-one Traditional Name: 5,5-dimethyl-3-(2-methylallyl)-2-(phenethylthio)-6H-benzo[h]quinazolin-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC2(C)C)N=C1SCCC4=CC=CC=C4

Isomeric SMILES

CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC2(C)C)N=C1SCCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2OS/c1-18(2)17-28-24(29)22-23(21-13-9-8-12-20(21)16-26(22,3)4)27-25(28)30-15-14-19-10-6-5-7-11-19/h5-13H,1,14-17H2,2-4H3