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

Systemtic Name: 3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)sulfanyl-pyrazole Openeye Name: 3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-1-(p-tolylsulfonyl)pyrazole CAS Name: 3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-[(4-nitrophenyl)thio]pyrazole IUPAC Name: 3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)sulfanylpyrazole Traditional Name: 3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-tosyl-pyrazole Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)SC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)SC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O4S2/c1-12-4-10-17(11-5-12)27(24,25)20-14(3)18(13(2)19-20)26-16-8-6-15(7-9-16)21(22)23/h4-11H,1-3H3