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

Systemtic Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)-1-[(E)-prop-1-enyl]pyrazole Openeye Name: 5-(benzyloxymethyl)-3-(4-methylsulfonylphenyl)-1-[(E)-prop-1-enyl]-4-(p-tolyl)pyrazole CAS Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)-1-[(E)-prop-1-enyl]pyrazole IUPAC Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)-1-[(E)-prop-1-enyl]pyrazole Traditional Name: 5-(benzoxymethyl)-3-(4-mesylphenyl)-1-[(E)-prop-1-enyl]-4-(p-tolyl)pyrazole Formula: C28H28N2O3S MolecularWeight: 472.59852

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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)COCC4=CC=CC=C4

Isomeric SMILES

C/C=C/N1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C)COCC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O3S/c1-4-18-30-26(20-33-19-22-8-6-5-7-9-22)27(23-12-10-21(2)11-13-23)28(29-30)24-14-16-25(17-15-24)34(3,31)32/h4-18H,19-20H2,1-3H3/b18-4+