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

Systemtic Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-(3,5-dinitrophenyl)methanone Openeye Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-(3,5-dinitrophenyl)methanone CAS Name: [3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-(3,5-dinitrophenyl)methanone IUPAC Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(3,5-dinitrophenyl)methanone Traditional Name: [3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]-(3,5-dinitrophenyl)methanone Formula: C18H13N5O7S MolecularWeight: 443.39012

Click to see the large picture

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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13N5O7S/c1-10-17(31-16-5-3-13(4-6-16)21(25)26)11(2)20(19-10)18(24)12-7-14(22(27)28)9-15(8-12)23(29)30/h3-9H,1-2H3