2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-[2,3,4-tris(chloranyl)phenyl]ethanone

Systemtic Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-[2,3,4-tris(chloranyl)phenyl]ethanone Openeye Name: 2-[[4-allyl-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3,4-trichlorophenyl)ethanone CAS Name: 2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(2,3,4-trichlorophenyl)ethanone IUPAC Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3,4-trichlorophenyl)ethanone Traditional Name: 2-[[4-allyl-5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1,2,4-triazol-3-yl]thio]-1-(2,3,4-trichlorophenyl)ethanone Formula: C20H18Cl3N5OS2 MolecularWeight: 514.87882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC(=O)C3=C(C(=C(C=C3)Cl)Cl)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC(=O)C3=C(C(=C(C=C3)Cl)Cl)Cl)C

InChI

InChI=1S/C20H18Cl3N5OS2/c1-4-7-28-16(10-30-19-24-11(2)8-12(3)25-19)26-27-20(28)31-9-15(29)13-5-6-14(21)18(23)17(13)22/h4-6,8H,1,7,9-10H2,2-3H3