1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-(4-iodanylphenoxy)ethanone

Systemtic Name: 1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-(4-iodanylphenoxy)ethanone Openeye Name: 1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-(4-iodophenoxy)ethanone CAS Name: 1-[3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]-2-(4-iodophenoxy)ethanone IUPAC Name: 1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]-2-(4-iodophenoxy)ethanone Traditional Name: 1-[3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazol-1-yl]-2-(4-iodophenoxy)ethanone Formula: C19H16IN3O4S MolecularWeight: 509.31751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)I)C)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)I)C)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H16IN3O4S/c1-12-19(28-17-6-4-3-5-16(17)23(25)26)13(2)22(21-12)18(24)11-27-15-9-7-14(20)8-10-15/h3-10H,11H2,1-2H3