1-[4-[[4-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,4-dichlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[[4-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,4-dichlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[[4-(3-chloro-4-fluoro-phenyl)-3-(2,4-dichlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-(3-chloro-4-fluorophenyl)-3-(2,4-dichlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[[4-(3-chloro-4-fluorophenyl)-3-(2,4-dichlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[[4-(3-chloro-4-fluoro-phenyl)-3-(2,4-dichlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]ethanone Formula: C21H19Cl3FN5OS MolecularWeight: 514.830863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H19Cl3FN5OS/c1-13(31)28-8-6-27(7-9-28)12-29-21(32)30(15-3-5-19(25)18(24)11-15)20(26-29)16-4-2-14(22)10-17(16)23/h2-5,10-11H,6-9,12H2,1H3