5-methyl-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-[(E)-prop-1-enyl]pyrazole

Systemtic Name: 5-methyl-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-[(E)-prop-1-enyl]pyrazole Openeye Name: 5-methyl-3-(4-methylsulfonylphenyl)-1-[(E)-prop-1-enyl]-4-(p-tolyl)pyrazole CAS Name: 5-methyl-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-[(E)-prop-1-enyl]pyrazole IUPAC Name: 5-methyl-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-[(E)-prop-1-enyl]pyrazole Traditional Name: 3-(4-mesylphenyl)-5-methyl-1-[(E)-prop-1-enyl]-4-(p-tolyl)pyrazole Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC=CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C)C

Isomeric SMILES

C/C=C/N1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H22N2O2S/c1-5-14-23-16(3)20(17-8-6-15(2)7-9-17)21(22-23)18-10-12-19(13-11-18)26(4,24)25/h5-14H,1-4H3/b14-5+