2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3,3-diethoxypropyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3,3-diethoxypropyl)quinazolin-4-one Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-3-(3,3-diethoxypropyl)quinazolin-4-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-(3,3-diethoxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-(3,3-diethoxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-3-(3,3-diethoxypropyl)quinazolin-4-one Formula: C23H25BrN2O4S MolecularWeight: 505.4246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)Br)OCC

Isomeric SMILES

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)Br)OCC

InChI

InChI=1S/C23H25BrN2O4S/c1-3-29-21(30-4-2)13-14-26-22(28)18-7-5-6-8-19(18)25-23(26)31-15-20(27)16-9-11-17(24)12-10-16/h5-12,21H,3-4,13-15H2,1-2H3