2-(4-methylphenyl)sulfonyl-2-[3-(naphthalen-1-ylmethylsulfanyl)quinoxalin-2-yl]ethanenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-2-[3-(naphthalen-1-ylmethylsulfanyl)quinoxalin-2-yl]ethanenitrile Openeye Name: 2-[3-(1-naphthylmethylsulfanyl)quinoxalin-2-yl]-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(4-methylphenyl)sulfonyl-2-[3-(1-naphthalenylmethylthio)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-2-[3-(naphthalen-1-ylmethylsulfanyl)quinoxalin-2-yl]acetonitrile Traditional Name: 2-[3-(1-naphthylmethylthio)quinoxalin-2-yl]-2-tosyl-acetonitrile Formula: C28H21N3O2S2 MolecularWeight: 495.61524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H21N3O2S2/c1-19-13-15-22(16-14-19)35(32,33)26(17-29)27-28(31-25-12-5-4-11-24(25)30-27)34-18-21-9-6-8-20-7-2-3-10-23(20)21/h2-16,26H,18H2,1H3