4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbamothioylamino]-2-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbamothioylamino]-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-2-methyl-pyrazole-3-carboxylic acid CAS Name: 4-[[[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamothioylamino]-2-methylpyrazole-3-carboxylic acid Traditional Name: 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)thiocarbamoylamino]-2-methyl-pyrazole-3-carboxylic acid Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=S)NC3=C(N(N=C3)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=S)NC3=C(N(N=C3)C)C(=O)O

InChI

InChI=1S/C18H20N6O2S/c1-11-15(12(2)24(22-11)10-13-7-5-4-6-8-13)21-18(27)20-14-9-19-23(3)16(14)17(25)26/h4-9H,10H2,1-3H3,(H,25,26)(H2,20,21,27)