4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-[(E)-prop-1-enyl]pyrazole-3-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-[(E)-prop-1-enyl]pyrazole-3-carbonitrile Openeye Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-[(E)-prop-1-enyl]pyrazole-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-[(E)-prop-1-enyl]-3-pyrazolecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-[(E)-prop-1-enyl]pyrazole-3-carbonitrile Traditional Name: 4-(4-chlorophenyl)-5-(4-mesylphenyl)-2-[(E)-prop-1-enyl]pyrazole-3-carbonitrile Formula: C20H16ClN3O2S MolecularWeight: 397.87794

Click to see the large picture

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)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O2S/c1-3-12-24-18(13-22)19(14-4-8-16(21)9-5-14)20(23-24)15-6-10-17(11-7-15)27(2,25)26/h3-12H,1-2H3/b12-3+