methyl 5-ethyl-2-[[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[1-(4-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H23FN4O2S2 MolecularWeight: 446.561323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)CC3=CC=C(C=C3)F)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)CC3=CC=C(C=C3)F)C)C(=O)OC

InChI

InChI=1S/C21H23FN4O2S2/c1-5-16-10-17(20(27)28-4)19(30-16)24-21(29)23-18-12(2)25-26(13(18)3)11-14-6-8-15(22)9-7-14/h6-10H,5,11H2,1-4H3,(H2,23,24,29)