N-[4-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]sulfonylphenyl]acetamide Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O5S2/c1-12-19(29-17-8-6-16(7-9-17)23(25)26)13(2)22(21-12)30(27,28)18-10-4-15(5-11-18)20-14(3)24/h4-11H,1-3H3,(H,20,24)