N-(2-cyanoethyl)-2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C20H15N5O2S MolecularWeight: 389.4304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCC#N)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCC#N)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H15N5O2S/c21-10-3-11-23-18(26)13-28-20-24-17-5-2-1-4-16(17)19(27)25(20)15-8-6-14(12-22)7-9-15/h1-2,4-9H,3,11,13H2,(H,23,26)