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

Systemtic Name: ethyl 1-phenyl-5-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-phenyl-5-[[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]pyrazole-4-carboxylate CAS Name: 5-[[1-oxo-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-5-[[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-[[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]pyrazole-4-carboxylic acid ethyl ester Formula: C26H22N6O3S2 MolecularWeight: 530.62128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C26H22N6O3S2/c1-2-35-25(34)20-16-27-32(19-12-7-4-8-13-19)23(20)28-22(33)17-37-26-30-29-24(21-14-9-15-36-21)31(26)18-10-5-3-6-11-18/h3-16H,2,17H2,1H3,(H,28,33)