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

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-2-[[5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-3-thienyl)ethanone CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethyl-3-thienyl)ethanone Formula: C20H20FN3O2S2 MolecularWeight: 417.520103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3F

InChI

InChI=1S/C20H20FN3O2S2/c1-4-9-24-19(11-26-18-8-6-5-7-16(18)21)22-23-20(24)27-12-17(25)15-10-13(2)28-14(15)3/h4-8,10H,1,9,11-12H2,2-3H3