3-(4-chlorophenyl)-2-(3-iodanyl-1-methyl-pyrazol-4-yl)sulfanyl-propanoate

Systemtic Name: 3-(4-chlorophenyl)-2-(3-iodanyl-1-methyl-pyrazol-4-yl)sulfanyl-propanoate Openeye Name: 3-(4-chlorophenyl)-2-(3-iodo-1-methyl-pyrazol-4-yl)sulfanyl-propanoate CAS Name: 3-(4-chlorophenyl)-2-[(3-iodo-1-methyl-4-pyrazolyl)thio]propanoate IUPAC Name: 3-(4-chlorophenyl)-2-(3-iodo-1-methylpyrazol-4-yl)sulfanylpropanoate Traditional Name: 3-(4-chlorophenyl)-2-[(3-iodo-1-methyl-pyrazol-4-yl)thio]propionate Formula: C13H11ClIN2O2S- MolecularWeight: 421.66111

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)I)SC(CC2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)I)SC(CC2=CC=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C13H12ClIN2O2S/c1-17-7-11(12(15)16-17)20-10(13(18)19)6-8-2-4-9(14)5-3-8/h2-5,7,10H,6H2,1H3,(H,18,19)/p-1