N-(2-cyanoethyl)-2-(4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-keto-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C23H18N4O2S2 MolecularWeight: 446.54462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NCCC#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NCCC#N)C4=CC=CC=C4

InChI

InChI=1S/C23H18N4O2S2/c24-12-7-13-25-19(28)15-31-23-26-21-20(18(14-30-21)16-8-3-1-4-9-16)22(29)27(23)17-10-5-2-6-11-17/h1-6,8-11,14H,7,13,15H2,(H,25,28)