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

Systemtic Name: 3-[5-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(5-bromo-2-methoxyphenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(5-bromo-2-methoxy-benzyl)thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C14H17BrN4O2S MolecularWeight: 385.27938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=CC(=C2)Br)OC)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=CC(=C2)Br)OC)CCC(=O)N

InChI

InChI=1S/C14H17BrN4O2S/c1-19-13(6-5-12(16)20)17-18-14(19)22-8-9-7-10(15)3-4-11(9)21-2/h3-4,7H,5-6,8H2,1-2H3,(H2,16,20)