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

Systemtic Name: methyl 2-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(1,5-dimethyl-3-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(1,5-dimethylpyrazol-3-yl)methylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)CNC(=S)NC2=C(C=C(S2)C)C(=O)OC

Isomeric SMILES

CC1=CC(=NN1C)CNC(=S)NC2=C(C=C(S2)C)C(=O)OC

InChI

InChI=1S/C14H18N4O2S2/c1-8-5-10(17-18(8)3)7-15-14(21)16-12-11(13(19)20-4)6-9(2)22-12/h5-6H,7H2,1-4H3,(H2,15,16,21)