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

Systemtic Name: ethyl 5-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C28H24N6O3S MolecularWeight: 524.59356

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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=CC=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=CC=C5

InChI

InChI=1S/C28H24N6O3S/c1-2-37-27(36)23-18-29-34(22-16-10-5-11-17-22)26(23)30-24(35)19-38-28-32-31-25(20-12-6-3-7-13-20)33(28)21-14-8-4-9-15-21/h3-18H,2,19H2,1H3,(H,30,35)