2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-[2,3,4-tris(chloranyl)phenyl]ethanone

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-[2,3,4-tris(chloranyl)phenyl]ethanone Openeye Name: 2-[[4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3,4-trichlorophenyl)ethanone CAS Name: 2-[[4-(2-furanylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(2,3,4-trichlorophenyl)ethanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3,4-trichlorophenyl)ethanone Traditional Name: 2-[[4-(2-furfuryl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2,3,4-trichlorophenyl)ethanone Formula: C20H13Cl3N4O2S MolecularWeight: 479.76682

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=NN=C2SCC(=O)C3=C(C(=C(C=C3)Cl)Cl)Cl)C4=CC=NC=C4

Isomeric SMILES

C1=COC(=C1)CN2C(=NN=C2SCC(=O)C3=C(C(=C(C=C3)Cl)Cl)Cl)C4=CC=NC=C4

InChI

InChI=1S/C20H13Cl3N4O2S/c21-15-4-3-14(17(22)18(15)23)16(28)11-30-20-26-25-19(12-5-7-24-8-6-12)27(20)10-13-2-1-9-29-13/h1-9H,10-11H2