[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl ester Formula: C28H21ClN2O2S MolecularWeight: 484.99654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)COC(=O)CSC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)COC(=O)CSC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H21ClN2O2S/c29-24-13-10-21(11-14-24)28-23(17-31(30-28)25-8-2-1-3-9-25)18-33-27(32)19-34-26-15-12-20-6-4-5-7-22(20)16-26/h1-17H,18-19H2