N-(4-bromophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H14BrN5OS MolecularWeight: 404.28426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CN=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CN=CC=C3

InChI

InChI=1S/C16H14BrN5OS/c1-22-15(11-3-2-8-18-9-11)20-21-16(22)24-10-14(23)19-13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H,19,23)