1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[[5-[(2-fluoranylphenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[[5-[(2-fluoranylphenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C28H33FN4O2S2 MolecularWeight: 540.715623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C)COC4=CC=CC=C4F

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C)COC4=CC=CC=C4F

InChI

InChI=1S/C28H33FN4O2S2/c1-4-5-6-9-14-32-27(18-35-26-13-8-7-12-24(26)29)30-31-28(32)37-19-25(34)23-16-20(2)33(21(23)3)17-22-11-10-15-36-22/h7-8,10-13,15-16H,4-6,9,14,17-19H2,1-3H3