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

Systemtic Name: 1-(3,4-dichlorophenyl)-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dichlorophenyl)-2-[[4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3,4-dichlorophenyl)-2-[[4-phenyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3,4-dichlorophenyl)-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dichlorophenyl)-2-[[4-phenyl-5-(2-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=CC(=C(C=C3)Cl)Cl)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=N4

InChI

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