methyl 5-[[4-[(3-ethanoylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(3-ethanoylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(3-acetylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[(3-acetylanilino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(3-acetylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(3-acetylphenyl)thiocarbamoylamino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c1-12(24)13-4-3-5-14(8-13)21-19(28)22-15-9-20-23(10-15)11-16-6-7-17(27-16)18(25)26-2/h3-10H,11H2,1-2H3,(H2,21,22,28)