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

Systemtic Name: 3-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(3-bromophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(3-bromobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C13H15BrN4OS MolecularWeight: 355.2534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN4OS/c1-18-12(6-5-11(15)19)16-17-13(18)20-8-9-3-2-4-10(14)7-9/h2-4,7H,5-6,8H2,1H3,(H2,15,19)