N-(2-cyanoethyl)-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]-N-phenyl-acetamide Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C25H21N5O2S/c1-18-12-13-22(27-16-18)30-24(32)20-10-5-6-11-21(20)28-25(30)33-17-23(31)29(15-7-14-26)19-8-3-2-4-9-19/h2-6,8-13,16H,7,15,17H2,1H3