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

Systemtic Name: methyl 2-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H20ClFN4O2S2 MolecularWeight: 515.022603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H20ClFN4O2S2/c1-14-20(15-7-4-3-5-8-15)21(23(31)32-2)22(34-14)28-24(33)27-19-11-12-30(29-19)13-16-17(25)9-6-10-18(16)26/h3-12H,13H2,1-2H3,(H2,27,28,29,33)