methyl 5-[[4-[(2,5-dimethoxyphenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(2,5-dimethoxyphenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(2,5-dimethoxyphenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(2,5-dimethoxyphenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(2,5-dimethoxyphenyl)thiocarbamoylamino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C19H20N4O5S/c1-25-13-4-6-16(26-2)15(8-13)22-19(29)21-12-9-20-23(10-12)11-14-5-7-17(28-14)18(24)27-3/h4-10H,11H2,1-3H3,(H2,21,22,29)