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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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