methyl 2-[[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-fluorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-(2-fluorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H17FN4O2S2 MolecularWeight: 404.481583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3F)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3F)C(=O)OC

InChI

InChI=1S/C18H17FN4O2S2/c1-11-9-13(17(24)25-2)16(27-11)21-18(26)20-15-7-8-23(22-15)10-12-5-3-4-6-14(12)19/h3-9H,10H2,1-2H3,(H2,20,21,22,26)