N-(3-cyanothiophen-2-yl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetamide Formula: C21H14N4O2S2 MolecularWeight: 418.49146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C21H14N4O2S2/c22-12-14-10-11-28-19(14)24-18(26)13-29-21-23-17-9-5-4-8-16(17)20(27)25(21)15-6-2-1-3-7-15/h1-11H,13H2,(H,24,26)