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

Systemtic Name: ethyl 2-[(1-ethyl-5-methyl-pyrazol-4-yl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-ethyl-5-methyl-pyrazol-4-yl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-5-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-ethyl-5-methyl-pyrazol-4-yl)methylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C=N1)CNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C22H26N4O2S2/c1-5-26-14(3)17(13-24-26)12-23-22(29)25-20-19(21(27)28-6-2)18(15(4)30-20)16-10-8-7-9-11-16/h7-11,13H,5-6,12H2,1-4H3,(H2,23,25,29)