2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C23H22FN5OS MolecularWeight: 435.517083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C)C4=CC=NC=C4

InChI

InChI=1S/C23H22FN5OS/c1-4-28-22(17-9-11-25-12-10-17)26-27-23(28)31-14-21(30)20-13-15(2)29(16(20)3)19-7-5-18(24)6-8-19/h5-13H,4,14H2,1-3H3