5-chloranyl-3-methyl-1-(2-methylpropyl)-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]pyrazole

Systemtic Name: 5-chloranyl-3-methyl-1-(2-methylpropyl)-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]pyrazole Openeye Name: 5-chloro-1-isobutyl-3-methyl-4-[(E)-2-(4-nitrophenyl)sulfonylvinyl]pyrazole CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]pyrazole IUPAC Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]pyrazole Traditional Name: 5-chloro-1-isobutyl-3-methyl-4-[(E)-2-nosylvinyl]pyrazole Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl)CC(C)C

InChI

InChI=1S/C16H18ClN3O4S/c1-11(2)10-19-16(17)15(12(3)18-19)8-9-25(23,24)14-6-4-13(5-7-14)20(21)22/h4-9,11H,10H2,1-3H3/b9-8+