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

Systemtic Name: N,N-bis(2-cyanoethyl)-2-(4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-(4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[(4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[(4-keto-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C26H21N5O2S2 MolecularWeight: 499.60724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N5O2S2/c27-13-7-15-30(16-8-14-28)22(32)18-35-26-29-24-23(21(17-34-24)19-9-3-1-4-10-19)25(33)31(26)20-11-5-2-6-12-20/h1-6,9-12,17H,7-8,15-16,18H2