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

Systemtic Name: methyl 2-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H16ClFN4O2S2 MolecularWeight: 438.926643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClFN4O2S2/c1-10-8-11(17(25)26-2)16(28-10)22-18(27)21-15-6-7-24(23-15)9-12-13(19)4-3-5-14(12)20/h3-8H,9H2,1-2H3,(H2,21,22,23,27)