1-methyl-5-[[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]carbamoyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]carbamoyl]pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]carbamoyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[[[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]amino]-oxomethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]carbamoyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[[1-(3-methylbenzyl)-1,2,4-triazol-3-yl]carbamoyl]pyrazole-4-carboxylic acid Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O3/c1-10-4-3-5-11(6-10)8-22-9-17-16(20-22)19-14(23)13-12(15(24)25)7-18-21(13)2/h3-7,9H,8H2,1-2H3,(H,24,25)(H,19,20,23)