1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-[[5-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-[[5-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-[[5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-[[5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]ethanone Formula: C27H27FN4O2S MolecularWeight: 490.592283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=C(N3CC=C)COC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=C(N3CC=C)COC4=CC=C(C=C4)F)C

InChI

InChI=1S/C27H27FN4O2S/c1-5-14-31-26(16-34-23-12-8-21(28)9-13-23)29-30-27(31)35-17-25(33)24-15-19(3)32(20(24)4)22-10-6-18(2)7-11-22/h5-13,15H,1,14,16-17H2,2-4H3