2-[3-chloranyl-5-(4-methylphenyl)sulfonyl-pyrazin-2-yl]ethanenitrile

Systemtic Name: 2-[3-chloranyl-5-(4-methylphenyl)sulfonyl-pyrazin-2-yl]ethanenitrile Openeye Name: 2-[3-chloro-5-(p-tolylsulfonyl)pyrazin-2-yl]acetonitrile CAS Name: 2-[3-chloro-5-(4-methylphenyl)sulfonyl-2-pyrazinyl]acetonitrile IUPAC Name: 2-[3-chloro-5-(4-methylphenyl)sulfonylpyrazin-2-yl]acetonitrile Traditional Name: 2-(3-chloro-5-tosyl-pyrazin-2-yl)acetonitrile Formula: C13H10ClN3O2S MolecularWeight: 307.7554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(C(=N2)Cl)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(C(=N2)Cl)CC#N

InChI

InChI=1S/C13H10ClN3O2S/c1-9-2-4-10(5-3-9)20(18,19)12-8-16-11(6-7-15)13(14)17-12/h2-5,8H,6H2,1H3