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

Systemtic Name: ethyl 2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-ethyl-3-methylpyrazol-4-yl)methylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S2/c1-4-25-13-16(14(3)24-25)12-22-21(28)23-19-17(20(26)27-5-2)11-18(29-19)15-9-7-6-8-10-15/h6-11,13H,4-5,12H2,1-3H3,(H2,22,23,28)