4-chloranyl-2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide Openeye Name: 4-chloro-2,5-dimethyl-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide CAS Name: 4-chloro-2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-pyrazolecarboxamide IUPAC Name: 4-chloro-2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide Traditional Name: 4-chloro-2,5-dimethyl-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide Formula: C16H17ClN6O MolecularWeight: 344.79878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=C(C(=NN3C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=C(C(=NN3C)C)Cl

InChI

InChI=1S/C16H17ClN6O/c1-10-4-6-12(7-5-10)8-23-9-18-16(21-23)19-15(24)14-13(17)11(2)20-22(14)3/h4-7,9H,8H2,1-3H3,(H,19,21,24)