1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone

Systemtic Name: 1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone Openeye Name: 1-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone CAS Name: 1-[3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]-2-(4-nitrophenoxy)ethanone IUPAC Name: 1-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-2-(4-nitrophenoxy)ethanone Traditional Name: 1-[3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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