methyl 2-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H20ClFN4O2S2 MolecularWeight: 466.979803

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C20H20ClFN4O2S2/c1-4-12-11(2)30-18(17(12)19(27)28-3)24-20(29)23-16-8-9-26(25-16)10-13-14(21)6-5-7-15(13)22/h5-9H,4,10H2,1-3H3,(H2,23,24,25,29)