N,N-bis(2-cyanoethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C20H17N5OS2 MolecularWeight: 407.51188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C20H17N5OS2/c21-9-4-11-25(12-5-10-22)18(26)14-28-20-15-6-1-2-7-16(15)23-19(24-20)17-8-3-13-27-17/h1-3,6-8,13H,4-5,11-12,14H2