[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C25H23N3O3S MolecularWeight: 445.53342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H23N3O3S/c1-17-25(18(2)28(27-17)21-10-4-3-5-11-21)26-23(29)15-31-24(30)16-32-22-13-12-19-8-6-7-9-20(19)14-22/h3-14H,15-16H2,1-2H3,(H,26,29)