4-[[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]methyl]-N-phenyl-benzamide Formula: C28H22N4O2S MolecularWeight: 478.56488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

InChI

InChI=1S/C28H22N4O2S/c33-26(30-23-8-2-1-3-9-23)22-14-12-20(13-15-22)19-35-28-31-25-11-5-4-10-24(25)27(34)32(28)18-21-7-6-16-29-17-21/h1-17H,18-19H2,(H,30,33)