2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,5-dimethyl-3-(2-methylprop-2-enyl)-6H-benzo[h]quinazolin-4-one

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,5-dimethyl-3-(2-methylprop-2-enyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5,5-dimethyl-3-(2-methylallyl)-6H-benzo[h]quinazolin-4-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5,5-dimethyl-3-(2-methylprop-2-enyl)-6H-benzo[h]quinazolin-4-one IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5,5-dimethyl-3-(2-methylprop-2-enyl)-6H-benzo[h]quinazolin-4-one Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5,5-dimethyl-3-(2-methylallyl)-6H-benzo[h]quinazolin-4-one Formula: C26H25BrN2O2S MolecularWeight: 509.4579

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC2(C)C)N=C1SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC2(C)C)N=C1SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H25BrN2O2S/c1-16(2)14-29-24(31)22-23(20-8-6-5-7-18(20)13-26(22,3)4)28-25(29)32-15-21(30)17-9-11-19(27)12-10-17/h5-12H,1,13-15H2,2-4H3