N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-(4-thieno[3,2-d]pyrimidinylthio)acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(thieno[3,2-d]pyrimidin-4-ylthio)acetamide Formula: C21H17N5OS2 MolecularWeight: 419.52258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=C2SC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=C2SC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H17N5OS2/c1-13-14(2)26(15-6-4-3-5-7-15)20(16(13)10-22)25-18(27)11-29-21-19-17(8-9-28-19)23-12-24-21/h3-9,12H,11H2,1-2H3,(H,25,27)