4-(furan-2-ylmethylcarbamothioylamino)-2-methyl-pyrazole-3-carboxylate

Systemtic Name: 4-(furan-2-ylmethylcarbamothioylamino)-2-methyl-pyrazole-3-carboxylate Openeye Name: 4-(2-furylmethylcarbamothioylamino)-2-methyl-pyrazole-3-carboxylate CAS Name: 4-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-2-methyl-3-pyrazolecarboxylate IUPAC Name: 4-(furan-2-ylmethylcarbamothioylamino)-2-methylpyrazole-3-carboxylate Traditional Name: 4-(2-furfurylthiocarbamoylamino)-2-methyl-pyrazole-3-carboxylate Formula: C11H11N4O3S- MolecularWeight: 279.29504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)NC(=S)NCC2=CC=CO2)C(=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)NC(=S)NCC2=CC=CO2)C(=O)[O-]

InChI

InChI=1S/C11H12N4O3S/c1-15-9(10(16)17)8(6-13-15)14-11(19)12-5-7-3-2-4-18-7/h2-4,6H,5H2,1H3,(H,16,17)(H2,12,14,19)/p-1