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

Systemtic Name: methyl 2-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H18ClFN4O2S2 MolecularWeight: 500.996023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H18ClFN4O2S2/c1-31-22(30)15-12-19(14-6-3-2-4-7-14)33-21(15)27-23(32)26-20-10-11-29(28-20)13-16-17(24)8-5-9-18(16)25/h2-12H,13H2,1H3,(H2,26,27,28,32)