2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]ethanamide

Systemtic Name: 2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]ethanamide Openeye Name: 2-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]acetamide CAS Name: 2-[[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]thio]-N-[(E)-(1-methyl-2-pyrrolyl)methylideneamino]acetamide IUPAC Name: 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide Traditional Name: 2-[[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]thio]-N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]acetamide Formula: C22H18BrN5O2S MolecularWeight: 496.37962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C=CC=C1/C=N/NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN5O2S/c1-27-12-4-5-17(27)13-24-26-20(29)14-31-22-25-19-7-3-2-6-18(19)21(30)28(22)16-10-8-15(23)9-11-16/h2-13H,14H2,1H3,(H,26,29)/b24-13+