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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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