ethyl 2-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-2-27-21(26)15-28-14-20(25)22-19-13-18(16-9-5-3-6-10-16)23-24(19)17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3,(H,22,25)