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

Systemtic Name: methyl 2-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-26-20(25)14-27-13-19(24)21-18-12-17(15-8-4-2-5-9-15)22-23(18)16-10-6-3-7-11-16/h2-12H,13-14H2,1H3,(H,21,24)