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

Systemtic Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-(4-iodophenyl)methanone Openeye Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-(4-iodophenyl)methanone CAS Name: [3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]-(4-iodophenyl)methanone IUPAC Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]-(4-iodophenyl)methanone Traditional Name: [3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazol-1-yl]-(4-iodophenyl)methanone Formula: C18H14IN3O3S MolecularWeight: 479.29153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14IN3O3S/c1-11-17(26-16-6-4-3-5-15(16)22(24)25)12(2)21(20-11)18(23)13-7-9-14(19)10-8-13/h3-10H,1-2H3