2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-bromophenyl)quinazolin-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-bromophenyl)quinazolin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-3-(4-bromophenyl)quinazolin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-3-(4-bromophenyl)-4-quinazolinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(4-bromophenyl)quinazolin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-3-(4-bromophenyl)quinazolin-4-one Formula: C23H15BrN2O4S MolecularWeight: 495.3452

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H15BrN2O4S/c24-15-6-8-16(9-7-15)26-22(28)17-3-1-2-4-18(17)25-23(26)31-12-19(27)14-5-10-20-21(11-14)30-13-29-20/h1-11H,12-13H2