ethyl 5-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H22N6O3S2 MolecularWeight: 482.57848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=NN2C3=CC=CC=C3)C(=O)OCC)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=NN2C3=CC=CC=C3)C(=O)OCC)C4=CC=CS4

InChI

InChI=1S/C22H22N6O3S2/c1-3-27-20(17-11-8-12-32-17)25-26-22(27)33-14-18(29)24-19-16(21(30)31-4-2)13-23-28(19)15-9-6-5-7-10-15/h5-13H,3-4,14H2,1-2H3,(H,24,29)