2-(4-bromanyl-3-methyl-pyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: 2-(4-bromanyl-3-methyl-pyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-(4-bromo-3-methyl-pyrazol-1-yl)-N-[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]acetamide CAS Name: 2-(4-bromo-3-methyl-1-pyrazolyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide IUPAC Name: 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-(4-bromo-3-methyl-pyrazol-1-yl)-N-[1-(3-methylbenzyl)-1,2,4-triazol-3-yl]acetamide Formula: C16H17BrN6O MolecularWeight: 389.24978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC(=N2)NC(=O)CN3C=C(C(=N3)C)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC(=N2)NC(=O)CN3C=C(C(=N3)C)Br

InChI

InChI=1S/C16H17BrN6O/c1-11-4-3-5-13(6-11)7-23-10-18-16(21-23)19-15(24)9-22-8-14(17)12(2)20-22/h3-6,8,10H,7,9H2,1-2H3,(H,19,21,24)