3,5-dimethyl-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]-1-(phenylmethyl)pyrazole

Systemtic Name: 3,5-dimethyl-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]-1-(phenylmethyl)pyrazole Openeye Name: 1-benzyl-3,5-dimethyl-4-[(E)-2-(4-nitrophenyl)sulfonylvinyl]pyrazole CAS Name: 3,5-dimethyl-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]-1-(phenylmethyl)pyrazole IUPAC Name: 1-benzyl-3,5-dimethyl-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]pyrazole Traditional Name: 1-benzyl-3,5-dimethyl-4-[(E)-2-nosylvinyl]pyrazole Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=CS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C/S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-15-20(16(2)22(21-15)14-17-6-4-3-5-7-17)12-13-28(26,27)19-10-8-18(9-11-19)23(24)25/h3-13H,14H2,1-2H3/b13-12+