2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-pyridin-4-ylmethylideneamino]ethanamide

Systemtic Name: 2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-pyridin-4-ylmethylideneamino]ethanamide Openeye Name: 2-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(E)-4-pyridylmethyleneamino]acetamide CAS Name: 2-[[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]thio]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide IUPAC Name: 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-pyridin-4-ylmethylideneamino]acetamide Traditional Name: 2-[[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]thio]-N-[(E)-4-pyridylmethyleneamino]acetamide Formula: C22H16BrN5O2S MolecularWeight: 494.36374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NN=CC3=CC=NC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N/N=C/C3=CC=NC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrN5O2S/c23-16-5-7-17(8-6-16)28-21(30)18-3-1-2-4-19(18)26-22(28)31-14-20(29)27-25-13-15-9-11-24-12-10-15/h1-13H,14H2,(H,27,29)/b25-13+