N-(4-bromanyl-3-methyl-phenyl)-3-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(1,2,4-triazol-1-yl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(1,2,4-triazol-1-yl)propionamide Formula: C12H13BrN4O MolecularWeight: 309.16182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCN2C=NC=N2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCN2C=NC=N2)Br

InChI

InChI=1S/C12H13BrN4O/c1-9-6-10(2-3-11(9)13)16-12(18)4-5-17-8-14-7-15-17/h2-3,6-8H,4-5H2,1H3,(H,16,18)