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

Systemtic Name: 4-chloranyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide Formula: C14H13ClN6O MolecularWeight: 316.74562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=C(C=NN3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=C(C=NN3)Cl

InChI

InChI=1S/C14H13ClN6O/c1-9-2-4-10(5-3-9)7-21-8-16-14(20-21)18-13(22)12-11(15)6-17-19-12/h2-6,8H,7H2,1H3,(H,17,19)(H,18,20,22)