N-(2-bromanyl-4-methyl-phenyl)-2-[(5-oxidanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[(5-oxidanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)methylthio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(5-keto-1,2-dihydro-1,2,4-triazol-3-yl)methylthio]acetamide Formula: C12H13BrN4O2S MolecularWeight: 357.22622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC2=NC(=O)NN2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC2=NC(=O)NN2)Br

InChI

InChI=1S/C12H13BrN4O2S/c1-7-2-3-9(8(13)4-7)14-11(18)6-20-5-10-15-12(19)17-16-10/h2-4H,5-6H2,1H3,(H,14,18)(H2,15,16,17,19)