methyl 2-[(4-fluorophenyl)carbamothioylamino]pyridine-3-carboxylate

Systemtic Name: methyl 2-[(4-fluorophenyl)carbamothioylamino]pyridine-3-carboxylate Openeye Name: methyl 2-[(4-fluorophenyl)carbamothioylamino]pyridine-3-carboxylate CAS Name: 2-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-fluorophenyl)carbamothioylamino]pyridine-3-carboxylate Traditional Name: 2-[(4-fluorophenyl)thiocarbamoylamino]nicotinic acid methyl ester Formula: C14H12FN3O2S MolecularWeight: 305.327383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)NC(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)NC(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C14H12FN3O2S/c1-20-13(19)11-3-2-8-16-12(11)18-14(21)17-10-6-4-9(15)5-7-10/h2-8H,1H3,(H2,16,17,18,21)