3-ethyl-4-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-4-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-4-oxo-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-4-oxo-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-4-oxo-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H18N4O2S MolecularWeight: 426.49032

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)NC1=S

InChI

InChI=1S/C24H18N4O2S/c1-2-28-23(30)20-12-10-17(15-21(20)27-24(28)31)22(29)26-19-8-5-6-16(14-19)9-11-18-7-3-4-13-25-18/h3-8,10,12-15H,2H2,1H3,(H,26,29)(H,27,31)