3,5-dimethyl-1-(4-nitrophenyl)sulfonyl-4-phenylsulfanyl-pyrazole

Systemtic Name: 3,5-dimethyl-1-(4-nitrophenyl)sulfonyl-4-phenylsulfanyl-pyrazole Openeye Name: 3,5-dimethyl-1-(4-nitrophenyl)sulfonyl-4-phenylsulfanyl-pyrazole CAS Name: 3,5-dimethyl-1-(4-nitrophenyl)sulfonyl-4-(phenylthio)pyrazole IUPAC Name: 3,5-dimethyl-1-(4-nitrophenyl)sulfonyl-4-phenylsulfanylpyrazole Traditional Name: 3,5-dimethyl-1-nosyl-4-(phenylthio)pyrazole Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)SC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O4S2/c1-12-17(25-15-6-4-3-5-7-15)13(2)19(18-12)26(23,24)16-10-8-14(9-11-16)20(21)22/h3-11H,1-2H3