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

Systemtic Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-2-pyrrolyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-pyrrol-2-yl]-2-(quinazolin-4-ylthio)acetamide Formula: C24H20FN5OS MolecularWeight: 445.511903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=CC=CC=C32)CC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=CC=CC=C32)CC4=CC=C(C=C4)F)C

InChI

InChI=1S/C24H20FN5OS/c1-15-16(2)30(12-17-7-9-18(25)10-8-17)23(20(15)11-26)29-22(31)13-32-24-19-5-3-4-6-21(19)27-14-28-24/h3-10,14H,12-13H2,1-2H3,(H,29,31)