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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C22H17FN4O2S MolecularWeight: 420.459383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3O2)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3O2)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H17FN4O2S/c1-13-14(2)27(16-9-7-15(23)8-10-16)21(17(13)11-24)26-20(28)12-30-22-25-18-5-3-4-6-19(18)29-22/h3-10H,12H2,1-2H3,(H,26,28)