ethyl 1-[2-(2,4-ditert-butylphenoxy)ethanoyl]-5-(ethylcarbamothioylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[2-(2,4-ditert-butylphenoxy)ethanoyl]-5-(ethylcarbamothioylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-[2-(2,4-ditert-butylphenoxy)acetyl]-5-(ethylcarbamothioylamino)pyrazole-4-carboxylate CAS Name: 1-[2-(2,4-ditert-butylphenoxy)-1-oxoethyl]-5-[[ethylamino(sulfanylidene)methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,4-ditert-butylphenoxy)acetyl]-5-(ethylcarbamothioylamino)pyrazole-4-carboxylate Traditional Name: 1-[2-(2,4-ditert-butylphenoxy)acetyl]-5-(ethylthiocarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C25H36N4O4S MolecularWeight: 488.64274

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C=NN1C(=O)COC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCNC(=S)NC1=C(C=NN1C(=O)COC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C25H36N4O4S/c1-9-26-23(34)28-21-17(22(31)32-10-2)14-27-29(21)20(30)15-33-19-12-11-16(24(3,4)5)13-18(19)25(6,7)8/h11-14H,9-10,15H2,1-8H3,(H2,26,28,34)