N-[4-oxidanylidene-2-(pyridin-4-ylmethylsulfanyl)quinazolin-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[4-oxidanylidene-2-(pyridin-4-ylmethylsulfanyl)quinazolin-3-yl]-2-phenyl-ethanamide Openeye Name: N-[4-oxo-2-(4-pyridylmethylsulfanyl)quinazolin-3-yl]-2-phenyl-acetamide CAS Name: N-[4-oxo-2-(pyridin-4-ylmethylthio)-3-quinazolinyl]-2-phenylacetamide IUPAC Name: N-[4-oxo-2-(pyridin-4-ylmethylsulfanyl)quinazolin-3-yl]-2-phenylacetamide Traditional Name: N-[4-keto-2-(4-pyridylmethylthio)quinazolin-3-yl]-2-phenyl-acetamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=NC=C4

InChI

InChI=1S/C22H18N4O2S/c27-20(14-16-6-2-1-3-7-16)25-26-21(28)18-8-4-5-9-19(18)24-22(26)29-15-17-10-12-23-13-11-17/h1-13H,14-15H2,(H,25,27)