methyl 4-[(5-methyl-1,3-diphenyl-pyrazol-4-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(5-methyl-1,3-diphenyl-pyrazol-4-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(5-methyl-1,3-diphenyl-pyrazole-4-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-methyl-1,3-diphenyl-4-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-methyl-1,3-diphenylpyrazole-4-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-methyl-1,3-diphenyl-pyrazole-4-carbonyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(=S)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(=S)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C26H22N4O3S/c1-17-22(24(31)28-26(34)27-20-15-13-19(14-16-20)25(32)33-2)23(18-9-5-3-6-10-18)29-30(17)21-11-7-4-8-12-21/h3-16H,1-2H3,(H2,27,28,31,34)