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

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]acetamide CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide Traditional Name: N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)acetamide Formula: C16H17N7O3 MolecularWeight: 355.35128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N7O3/c1-11-3-5-13(6-4-11)8-21-10-17-16(20-21)18-15(24)9-22-12(2)7-14(19-22)23(25)26/h3-7,10H,8-9H2,1-2H3,(H,18,20,24)