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

Systemtic Name: dimethyl 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)amino]methyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)C)C)C(=O)OC

InChI

InChI=1S/C16H20N4O4S2/c1-7-10(14(21)23-5)13(26-12(7)15(22)24-6)18-16(25)17-11-8(2)19-20(4)9(11)3/h1-6H3,(H2,17,18,25)