2-[4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)thiazol-2-yl]acetonitrile CAS Name: 2-[4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-(4-fluorophenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-(4-fluorophenyl)-5-(2-mesylphenyl)thiazol-2-yl]acetonitrile Formula: C18H13FN2O2S2 MolecularWeight: 372.436423

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=C(N=C(S2)CC#N)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=C(N=C(S2)CC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-5-3-2-4-14(15)18-17(21-16(24-18)10-11-20)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3