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

Systemtic Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-2-pyrrolyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-(benzylthio)-N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C23H22FN3OS MolecularWeight: 407.503683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSCC2=CC=CC=C2)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSCC2=CC=CC=C2)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H22FN3OS/c1-16-17(2)27(13-18-8-10-20(24)11-9-18)23(21(16)12-25)26-22(28)15-29-14-19-6-4-3-5-7-19/h3-11H,13-15H2,1-2H3,(H,26,28)