N-(4-methoxy-2-nitro-phenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C23H19N5O5S MolecularWeight: 477.49246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O5S/c1-33-16-8-9-19(20(11-16)28(31)32)25-21(29)14-34-23-26-18-7-3-2-6-17(18)22(30)27(23)13-15-5-4-10-24-12-15/h2-12H,13-14H2,1H3,(H,25,29)