N-(2-methoxy-5-nitro-phenyl)-2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-oxo-3-(4-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[[4-oxo-3-(pyridin-4-ylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[4-oxo-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(4-pyridylmethyl)quinazolin-2-yl]thio]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C23H19N5O5S MolecularWeight: 477.49246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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