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

Systemtic Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(quinazolin-4-ylthio)acetamide Formula: C23H18FN5OS MolecularWeight: 431.485323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=CC=CC=C32)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=CC=CC=C32)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C23H18FN5OS/c1-14-15(2)29(17-7-5-6-16(24)10-17)22(19(14)11-25)28-21(30)12-31-23-18-8-3-4-9-20(18)26-13-27-23/h3-10,13H,12H2,1-2H3,(H,28,30)