2-(4-fluorophenyl)sulfonyl-2-[3-(phenylmethylsulfanyl)quinoxalin-2-yl]ethanenitrile

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-2-[3-(phenylmethylsulfanyl)quinoxalin-2-yl]ethanenitrile Openeye Name: 2-(3-benzylsulfanylquinoxalin-2-yl)-2-(4-fluorophenyl)sulfonyl-acetonitrile CAS Name: 2-(4-fluorophenyl)sulfonyl-2-[3-(phenylmethylthio)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(3-benzylsulfanylquinoxalin-2-yl)-2-(4-fluorophenyl)sulfonylacetonitrile Traditional Name: 2-[3-(benzylthio)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-acetonitrile Formula: C23H16FN3O2S2 MolecularWeight: 449.520443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H16FN3O2S2/c24-17-10-12-18(13-11-17)31(28,29)21(14-25)22-23(30-15-16-6-2-1-3-7-16)27-20-9-5-4-8-19(20)26-22/h1-13,21H,15H2