4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)-1-prop-2-enyl-pyrazole

Systemtic Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)-1-prop-2-enyl-pyrazole Openeye Name: 1-allyl-5-(benzyloxymethyl)-3-(4-methylsulfonylphenyl)-4-(p-tolyl)pyrazole CAS Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)-1-prop-2-enylpyrazole IUPAC Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)-1-prop-2-enylpyrazole Traditional Name: 1-allyl-5-(benzoxymethyl)-3-(4-mesylphenyl)-4-(p-tolyl)pyrazole Formula: C28H28N2O3S MolecularWeight: 472.59852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC=C)COCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC=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/h4-17H,1,18-20H2,2-3H3