sulfanyl 2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2-[1-(3-methylphenyl)pyrazol-3-yl]-3-oxidanylidene-hexanoate

Systemtic Name: sulfanyl 2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2-[1-(3-methylphenyl)pyrazol-3-yl]-3-oxidanylidene-hexanoate Openeye Name: sulfanyl 2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2-[1-(m-tolyl)pyrazol-3-yl]-3-oxo-hexanoate CAS Name: 2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2-[1-(3-methylphenyl)-3-pyrazolyl]-3-oxohexanoic acid mercapto ester IUPAC Name: sulfanyl 2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2-[1-(3-methylphenyl)pyrazol-3-yl]-3-oxohexanoate Traditional Name: 3-keto-4,4-dimethyl-2-[1-(m-tolyl)pyrazol-3-yl]-2-p-anisyl-hexanoic acid mercapto ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(CC1=CC=C(C=C1)OC)(C2=NN(C=C2)C3=CC=CC(=C3)C)C(=O)OS

Isomeric SMILES

CCC(C)(C)C(=O)C(CC1=CC=C(C=C1)OC)(C2=NN(C=C2)C3=CC=CC(=C3)C)C(=O)OS

InChI

InChI=1S/C26H30N2O4S/c1-6-25(3,4)23(29)26(24(30)32-33,17-19-10-12-21(31-5)13-11-19)22-14-15-28(27-22)20-9-7-8-18(2)16-20/h7-16,33H,6,17H2,1-5H3