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

Systemtic Name: 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-2-phenoxyethanone IUPAC Name: 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]-2-phenoxy-ethanone Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S/c1-13-19(27-17-10-8-15(9-11-17)22(24)25)14(2)21(20-13)18(23)12-26-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3