methyl 5-[[4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(2-methoxy-5-methylphenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(2-methoxy-5-methyl-phenyl)thiocarbamoylamino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C19H20N4O4S/c1-12-4-6-16(25-2)15(8-12)22-19(28)21-13-9-20-23(10-13)11-14-5-7-17(27-14)18(24)26-3/h4-10H,11H2,1-3H3,(H2,21,22,28)