4-oxidanylidene-3-phenyl-2-sulfanylidene-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-phenyl-2-sulfanylidene-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-phenyl-2-thioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-phenyl-2-sulfanylidene-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-phenyl-2-sulfanylidene-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-phenyl-2-thioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinazoline-7-carboxamide Formula: C22H16N6O2S MolecularWeight: 428.46644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=NN=C5N4C=CC=C5)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=NN=C5N4C=CC=C5)NC2=S

InChI

InChI=1S/C22H16N6O2S/c29-20(23-13-19-26-25-18-8-4-5-11-27(18)19)14-9-10-16-17(12-14)24-22(31)28(21(16)30)15-6-2-1-3-7-15/h1-12H,13H2,(H,23,29)(H,24,31)