4-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]methyl]-3-nitro-benzamide Formula: C22H17N5O4S MolecularWeight: 447.46648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O4S/c1-13-8-9-24-19(10-13)26-21(29)16-4-2-3-5-17(16)25-22(26)32-12-15-7-6-14(20(23)28)11-18(15)27(30)31/h2-11H,12H2,1H3,(H2,23,28)