[2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 2-iodanylbenzoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 2-iodanylbenzoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [2-tert-butyl-5-methyl-4-[(4-methylphenyl)thio]-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C22H23IN2O2S MolecularWeight: 506.39969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC=CC=C3I

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C22H23IN2O2S/c1-14-10-12-16(13-11-14)28-19-15(2)24-25(22(3,4)5)20(19)27-21(26)17-8-6-7-9-18(17)23/h6-13H,1-5H3