(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-iodanylbenzoate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-iodanylbenzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-iodobenzoate CAS Name: 2-iodobenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C23H17IN2O2S MolecularWeight: 512.36275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3I)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3I)C4=CC=CC=C4

InChI

InChI=1S/C23H17IN2O2S/c1-16-21(29-18-12-6-3-7-13-18)22(26(25-16)17-10-4-2-5-11-17)28-23(27)19-14-8-9-15-20(19)24/h2-15H,1H3