methyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C

InChI

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