4-[5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]benzenecarbonitrile Openeye Name: 4-[5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]benzonitrile CAS Name: 4-[5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]benzonitrile IUPAC Name: 4-[5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]benzonitrile Traditional Name: 4-[2-(4-mesylphenyl)-5-methyl-1H-pyrrol-3-yl]benzonitrile Formula: C19H16N2O2S MolecularWeight: 336.40754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H16N2O2S/c1-13-11-18(15-5-3-14(12-20)4-6-15)19(21-13)16-7-9-17(10-8-16)24(2,22)23/h3-11,21H,1-2H3