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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)methylamino]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3=C(N(N=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3=C(N(N=C3C)C)C

InChI

InChI=1S/C22H26N4O2S2/c1-6-28-21(27)19-18(16-10-8-7-9-11-16)15(4)30-20(19)24-22(29)23-12-17-13(2)25-26(5)14(17)3/h7-11H,6,12H2,1-5H3,(H2,23,24,29)