methyl 2-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[(1,5-dimethyl-3-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(1,5-dimethylpyrazol-3-yl)methylthiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C15H20N4O2S2 MolecularWeight: 352.4749

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCC2=NN(C(=C2)C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=NN(C(=C2)C)C)C(=O)OC

InChI

InChI=1S/C15H20N4O2S2/c1-5-11-7-12(14(20)21-4)13(23-11)17-15(22)16-8-10-6-9(2)19(3)18-10/h6-7H,5,8H2,1-4H3,(H2,16,17,22)