5-(4-fluorophenyl)-2-methyl-benzenecarbonitrile; 2-methylsulfonylcyclopenta-1,3-diene

Systemtic Name: 5-(4-fluorophenyl)-2-methyl-benzenecarbonitrile; 2-methylsulfonylcyclopenta-1,3-diene Openeye Name: 5-(4-fluorophenyl)-2-methyl-benzonitrile; 2-methylsulfonylcyclopenta-1,3-diene CAS Name: 5-(4-fluorophenyl)-2-methylbenzonitrile; 2-methylsulfonylcyclopenta-1,3-diene IUPAC Name: 5-(4-fluorophenyl)-2-methylbenzonitrile; 2-methylsulfonylcyclopenta-1,3-diene Traditional Name: 5-(4-fluorophenyl)-2-methyl-benzonitrile; 2-mesylcyclopenta-1,3-diene Formula: C20H18FNO2S MolecularWeight: 355.425823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(C=C2)F)C#N.CS(=O)(=O)C1=CCC=C1

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(C=C2)F)C#N.CS(=O)(=O)C1=CCC=C1

InChI

InChI=1S/C14H10FN.C6H8O2S/c1-10-2-3-12(8-13(10)9-16)11-4-6-14(15)7-5-11;1-9(7,8)6-4-2-3-5-6/h2-8H,1H3;2,4-5H,3H2,1H3