2-[[4-ethyl-5-(3-methyl-1-benzofuran-2-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-(3-methyl-1-benzofuran-2-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-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[[4-ethyl-5-(3-methyl-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]-1-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[[4-ethyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[[4-ethyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C27H25FN4O2S MolecularWeight: 488.576403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C)C4=C(C5=CC=CC=C5O4)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C)C4=C(C5=CC=CC=C5O4)C

InChI

InChI=1S/C27H25FN4O2S/c1-5-31-26(25-17(3)21-8-6-7-9-24(21)34-25)29-30-27(31)35-15-23(33)22-14-16(2)32(18(22)4)20-12-10-19(28)11-13-20/h6-14H,5,15H2,1-4H3