N-(4-cyanophenyl)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-cyanophenyl)-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-cyanophenyl)-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]acetamide IUPAC Name: N-(4-cyanophenyl)-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide Traditional Name: N-(4-cyanophenyl)-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]acetamide Formula: C22H16N4O2S MolecularWeight: 400.45304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H16N4O2S/c1-26-21(28)18-10-15-4-2-3-5-16(15)11-19(18)25-22(26)29-13-20(27)24-17-8-6-14(12-23)7-9-17/h2-11H,13H2,1H3,(H,24,27)