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

Systemtic Name: methyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl 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)OC)C

Isomeric SMILES

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

InChI

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