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

Systemtic Name: ethyl 1-phenyl-5-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-phenyl-5-[[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]pyrazole-4-carboxylate CAS Name: 5-[[1-oxo-2-[(4-phenyl-5-pyridin-4-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-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-[[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]pyrazole-4-carboxylic acid ethyl ester Formula: C27H23N7O3S MolecularWeight: 525.58162

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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=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H23N7O3S/c1-2-37-26(36)22-17-29-34(21-11-7-4-8-12-21)25(22)30-23(35)18-38-27-32-31-24(19-13-15-28-16-14-19)33(27)20-9-5-3-6-10-20/h3-17H,2,18H2,1H3,(H,30,35)