N,N-bis(2-cyanoethyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O2S/c23-12-6-14-26(15-7-13-24)20(28)16-30-22-25-19-11-5-4-10-18(19)21(29)27(22)17-8-2-1-3-9-17/h1-5,8-11H,6-7,14-16H2