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

Systemtic Name: methyl 2-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H18ClFN4O2S2 MolecularWeight: 452.953223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F)C(=O)OC

InChI

InChI=1S/C19H18ClFN4O2S2/c1-3-11-9-12(18(26)27-2)17(29-11)23-19(28)22-16-7-8-25(24-16)10-13-14(20)5-4-6-15(13)21/h4-9H,3,10H2,1-2H3,(H2,22,23,24,28)