(4-chloranyl-3-nitro-phenyl)-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone Openeye Name: (4-chloro-3-nitro-phenyl)-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone CAS Name: (4-chloro-3-nitrophenyl)-[3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]methanone IUPAC Name: (4-chloro-3-nitrophenyl)-[3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]methanone Traditional Name: (4-chloro-3-nitro-phenyl)-[3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazol-1-yl]methanone Formula: C18H13ClN4O5S MolecularWeight: 432.83762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4O5S/c1-10-17(29-16-6-4-3-5-14(16)22(25)26)11(2)21(20-10)18(24)12-7-8-13(19)15(9-12)23(27)28/h3-9H,1-2H3