5-chloranyl-1-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-pyrazole

Systemtic Name: 5-chloranyl-1-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-pyrazole Openeye Name: 5-chloro-1-methyl-3-phenyl-4-(p-tolylsulfonylmethyl)pyrazole CAS Name: 5-chloro-1-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyrazole IUPAC Name: 5-chloro-1-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyrazole Traditional Name: 5-chloro-1-methyl-3-phenyl-4-(tosylmethyl)pyrazole Formula: C18H17ClN2O2S MolecularWeight: 360.85778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N(N=C2C3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N(N=C2C3=CC=CC=C3)C)Cl

InChI

InChI=1S/C18H17ClN2O2S/c1-13-8-10-15(11-9-13)24(22,23)12-16-17(20-21(2)18(16)19)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3