(E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-2-mesyl-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C20H17N3O3S MolecularWeight: 379.43228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3S/c1-26-18-10-8-15(9-11-18)20-16(12-19(13-21)27(2,24)25)14-23(22-20)17-6-4-3-5-7-17/h3-12,14H,1-2H3/b19-12+