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

Systemtic Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C21H16FN5OS2 MolecularWeight: 437.513043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=C2C=CS3)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=C2C=CS3)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C21H16FN5OS2/c1-12-13(2)27(15-5-3-4-14(22)8-15)19(17(12)9-23)26-18(28)10-30-21-16-6-7-29-20(16)24-11-25-21/h3-8,11H,10H2,1-2H3,(H,26,28)