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

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one Openeye Name: 3-allyl-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5,5-dimethyl-6H-benzo[h]quinazolin-4-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3-allyl-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5,5-dimethyl-6H-benzo[h]quinazolin-4-one Formula: C25H23BrN2O2S MolecularWeight: 495.43132

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)CC=C)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)CC=C)C

InChI

InChI=1S/C25H23BrN2O2S/c1-4-13-28-23(30)21-22(19-8-6-5-7-17(19)14-25(21,2)3)27-24(28)31-15-20(29)16-9-11-18(26)12-10-16/h4-12H,1,13-15H2,2-3H3