methyl 5-[[4-(furan-2-ylcarbonylcarbamothioylamino)pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(furan-2-ylcarbonylcarbamothioylamino)pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(furan-2-carbonylcarbamothioylamino)pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(furan-2-carbonylcarbamothioylamino)pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-furoylthiocarbamoylamino)pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C16H14N4O5S/c1-23-15(22)13-5-4-11(25-13)9-20-8-10(7-17-20)18-16(26)19-14(21)12-3-2-6-24-12/h2-8H,9H2,1H3,(H2,18,19,21,26)