2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[1-(3-methylbenzyl)-1,2,4-triazol-3-yl]acetamide Formula: C16H16BrN7O3 MolecularWeight: 434.24734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC(=N2)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC(=N2)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C16H16BrN7O3/c1-10-4-3-5-12(6-10)7-22-9-18-16(21-22)19-13(25)8-23-11(2)14(17)15(20-23)24(26)27/h3-6,9H,7-8H2,1-2H3,(H,19,21,25)