ethyl 4,5-dimethyl-2-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[(5-methyl-2-phenyl-pyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(5-methyl-2-phenyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(5-methyl-2-phenylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(5-methyl-2-phenyl-pyrazol-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC(=NN2C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC(=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C20H22N4O2S2/c1-5-26-19(25)17-13(3)14(4)28-18(17)22-20(27)21-16-11-12(2)23-24(16)15-9-7-6-8-10-15/h6-11H,5H2,1-4H3,(H2,21,22,27)