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

Systemtic Name: methyl 5-ethyl-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[1-(4-fluorobenzyl)pyrazol-4-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H19FN4O2S2 MolecularWeight: 418.508163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C19H19FN4O2S2/c1-3-15-8-16(18(25)26-2)17(28-15)23-19(27)22-14-9-21-24(11-14)10-12-4-6-13(20)7-5-12/h4-9,11H,3,10H2,1-2H3,(H2,22,23,27)