2-[[4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[[4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[[4-(4-fluorophenyl)-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[[4-(4-fluorophenyl)-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[[4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[[4-(4-fluorophenyl)-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C23H28FN5OS MolecularWeight: 441.564723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CN4CCCCC4

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CN4CCCCC4

InChI

InChI=1S/C23H28FN5OS/c1-16-13-20(17(2)27(16)3)21(30)15-31-23-26-25-22(14-28-11-5-4-6-12-28)29(23)19-9-7-18(24)8-10-19/h7-10,13H,4-6,11-12,14-15H2,1-3H3