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

Systemtic Name: methyl 5-ethyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)methylamino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H22N4O2S2 MolecularWeight: 366.50148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCC2=C(N(N=C2C)C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=C(N(N=C2C)C)C)C(=O)OC

InChI

InChI=1S/C16H22N4O2S2/c1-6-11-7-12(15(21)22-5)14(24-11)18-16(23)17-8-13-9(2)19-20(4)10(13)3/h7H,6,8H2,1-5H3,(H2,17,18,23)