3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-1-(phenylsulfonyl)pyrazole

Systemtic Name: 3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-1-(phenylsulfonyl)pyrazole Openeye Name: 1-(benzenesulfonyl)-3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazole CAS Name: 1-(benzenesulfonyl)-3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazole IUPAC Name: 1-(benzenesulfonyl)-3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazole Traditional Name: 1-besyl-3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazole Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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