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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]acetamide Formula: C22H16ClN5O4S MolecularWeight: 481.91154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)CC4=CN=CC=C4

InChI

InChI=1S/C22H16ClN5O4S/c23-17-8-7-15(28(31)32)10-19(17)25-20(29)13-33-22-26-18-6-2-1-5-16(18)21(30)27(22)12-14-4-3-9-24-11-14/h1-11H,12-13H2,(H,25,29)