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

Systemtic Name: 3-[5-[(4-bromophenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(4-bromophenyl)methylsulfanyl]-4-isobutyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(4-bromophenyl)methylthio]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(4-bromophenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-bromobenzyl)thio]-4-isobutyl-1,2,4-triazol-3-yl]propionamide Formula: C16H21BrN4OS MolecularWeight: 397.33314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN4OS/c1-11(2)9-21-15(8-7-14(18)22)19-20-16(21)23-10-12-3-5-13(17)6-4-12/h3-6,11H,7-10H2,1-2H3,(H2,18,22)