1-[3,4-bis(fluoranyl)phenyl]-2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]-2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-difluorophenyl)ethanone CAS Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(3,4-difluorophenyl)ethanone IUPAC Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-difluorophenyl)ethanone Traditional Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(3,4-difluorophenyl)ethanone Formula: C17H12ClF2N3O2S MolecularWeight: 395.810886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C17H12ClF2N3O2S/c1-25-15-5-3-10(18)7-11(15)16-21-17(23-22-16)26-8-14(24)9-2-4-12(19)13(20)6-9/h2-7H,8H2,1H3,(H,21,22,23)