N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanamide Openeye Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide CAS Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-2-pyrrolyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]acetamide IUPAC Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide Traditional Name: N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]acetamide Formula: C23H22FN7OS MolecularWeight: 463.530483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NN=C(N12)SCC(=O)NC3=C(C(=C(N3CC4=CC=C(C=C4)F)C)C)C#N)C

Isomeric SMILES

CC1=CC(=NC2=NN=C(N12)SCC(=O)NC3=C(C(=C(N3CC4=CC=C(C=C4)F)C)C)C#N)C

InChI

InChI=1S/C23H22FN7OS/c1-13-9-14(2)31-22(26-13)28-29-23(31)33-12-20(32)27-21-19(10-25)15(3)16(4)30(21)11-17-5-7-18(24)8-6-17/h5-9H,11-12H2,1-4H3,(H,27,32)