3-[5-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C15H17BrN4O3S MolecularWeight: 413.28948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)Br)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)Br)CCC(=O)N

InChI

InChI=1S/C15H17BrN4O3S/c1-20-14(6-5-13(17)22)18-19-15(20)24-8-11(21)9-3-4-12(23-2)10(16)7-9/h3-4,7H,5-6,8H2,1-2H3,(H2,17,22)