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

Systemtic Name: 1-(2-bromophenyl)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2-bromophenyl)-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-bromophenyl)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2-bromophenyl)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2-bromophenyl)-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)C2=CC=CC=C2Br)C3=CC=NC=C3

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)C2=CC=CC=C2Br)C3=CC=NC=C3

InChI

InChI=1S/C18H17BrN4O2S/c1-25-11-10-23-17(13-6-8-20-9-7-13)21-22-18(23)26-12-16(24)14-4-2-3-5-15(14)19/h2-9H,10-12H2,1H3