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

Systemtic Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-(4-nitrophenyl)methanone Openeye Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-(4-nitrophenyl)methanone CAS Name: [3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-(4-nitrophenyl)methanone IUPAC Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(4-nitrophenyl)methanone Traditional Name: [3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]-(4-nitrophenyl)methanone Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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