1-(2,4-dichlorophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,4-dichlorophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,4-dichlorophenyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,4-dichlorophenyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,4-dichlorophenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,4-dichlorophenyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H14Cl2N4OS MolecularWeight: 441.33306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CN=CC=C4

InChI

InChI=1S/C21H14Cl2N4OS/c22-15-8-9-17(18(23)11-15)19(28)13-29-21-26-25-20(14-5-4-10-24-12-14)27(21)16-6-2-1-3-7-16/h1-12H,13H2