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

Systemtic Name: 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-(2-nitrophenoxy)ethanone CAS Name: 1-[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 1-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]-2-(2-nitrophenoxy)ethanone Formula: C19H16N4O6S MolecularWeight: 428.41854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O6S/c1-12-19(30-15-9-7-14(8-10-15)22(25)26)13(2)21(20-12)18(24)11-29-17-6-4-3-5-16(17)23(27)28/h3-10H,11H2,1-2H3