(2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-naphthalen-1-ylethanoate

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-naphthalen-1-ylethanoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(1-naphthyl)acetate CAS Name: 2-(1-naphthalenyl)acetic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 2-naphthalen-1-ylacetate Traditional Name: 2-(1-naphthyl)acetic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C26H26N2O2S MolecularWeight: 430.56184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CC3=CC=CC4=CC=CC=C43)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CC3=CC=CC4=CC=CC=C43)C(C)(C)C

InChI

InChI=1S/C26H26N2O2S/c1-18-24(31-21-14-6-5-7-15-21)25(28(27-18)26(2,3)4)30-23(29)17-20-13-10-12-19-11-8-9-16-22(19)20/h5-16H,17H2,1-4H3