N-(5-bromanyl-2-methyl-phenyl)-2-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-(5-bromanyl-2-methyl-phenyl)-2-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-(5-bromo-2-methyl-phenyl)-2-(1,2,4-triazol-1-yl)propanamide CAS Name: N-(5-bromo-2-methylphenyl)-2-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-(5-bromo-2-methylphenyl)-2-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-(5-bromo-2-methyl-phenyl)-2-(1,2,4-triazol-1-yl)propionamide Formula: C12H13BrN4O MolecularWeight: 309.16182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)NC(=O)C(C)N2C=NC=N2

Isomeric SMILES

CC1=C(C=C(C=C1)Br)NC(=O)C(C)N2C=NC=N2

InChI

InChI=1S/C12H13BrN4O/c1-8-3-4-10(13)5-11(8)16-12(18)9(2)17-7-14-6-15-17/h3-7,9H,1-2H3,(H,16,18)