methyl 5-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)amino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)C)C)C(=O)OC

InChI

InChI=1S/C14H18N4O2S2/c1-7-6-10(13(19)20-5)12(22-7)16-14(21)15-11-8(2)17-18(4)9(11)3/h6H,1-5H3,(H2,15,16,21)