ethyl 2-[2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-oxo-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl]sulfanylacetate CAS Name: 2-[[2-[[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]amino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl]thio]acetic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-3-28-22(27)15-29-14-21(26)23-20-13-19(17-11-9-16(2)10-12-17)24-25(20)18-7-5-4-6-8-18/h4-13H,3,14-15H2,1-2H3,(H,23,26)