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

Systemtic Name: 1-(4-bromophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-ethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CN=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CN=CC=C3

InChI

InChI=1S/C17H15BrN4OS/c1-2-22-16(13-4-3-9-19-10-13)20-21-17(22)24-11-15(23)12-5-7-14(18)8-6-12/h3-10H,2,11H2,1H3