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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]-(3,5-dinitrophenyl)methanone Openeye Name: [4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]-(3,5-dinitrophenyl)methanone CAS Name: [4-[(4-chlorophenyl)thio]-3,5-dimethyl-1-pyrazolyl]-(3,5-dinitrophenyl)methanone IUPAC Name: [4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-(3,5-dinitrophenyl)methanone Traditional Name: [4-[(4-chlorophenyl)thio]-3,5-dimethyl-pyrazol-1-yl]-(3,5-dinitrophenyl)methanone Formula: C18H13ClN4O5S MolecularWeight: 432.83762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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