(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(2,4-dinitrophenyl)methanone

Systemtic Name: (3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(2,4-dinitrophenyl)methanone Openeye Name: (3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(2,4-dinitrophenyl)methanone CAS Name: [3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]-(2,4-dinitrophenyl)methanone IUPAC Name: (3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-(2,4-dinitrophenyl)methanone Traditional Name: [3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]-(2,4-dinitrophenyl)methanone Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O5S/c1-11-17(28-14-6-4-3-5-7-14)12(2)20(19-11)18(23)15-9-8-13(21(24)25)10-16(15)22(26)27/h3-10H,1-2H3