3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxy-phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[3-[(3,5-dimethyl-1-pyrazolyl)methyl]-4-methoxyphenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxy-phenyl]acrylonitrile Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC(=C2)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)OC)C

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC(=C2)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)OC)C

InChI

InChI=1S/C22H21N3O3S/c1-16-11-17(2)25(24-16)15-19-12-18(9-10-22(19)28-3)13-21(14-23)29(26,27)20-7-5-4-6-8-20/h4-13H,15H2,1-3H3