2-(4-methylphenyl)sulfonyl-2-(3-pyrazol-1-ylquinoxalin-2-yl)ethanenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-2-(3-pyrazol-1-ylquinoxalin-2-yl)ethanenitrile Openeye Name: 2-(p-tolylsulfonyl)-2-(3-pyrazol-1-ylquinoxalin-2-yl)acetonitrile CAS Name: 2-(4-methylphenyl)sulfonyl-2-[3-(1-pyrazolyl)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-2-(3-pyrazol-1-ylquinoxalin-2-yl)acetonitrile Traditional Name: 2-(3-pyrazol-1-ylquinoxalin-2-yl)-2-tosyl-acetonitrile Formula: C20H15N5O2S MolecularWeight: 389.4304

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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=C2N4C=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4C=CC=N4

InChI

InChI=1S/C20H15N5O2S/c1-14-7-9-15(10-8-14)28(26,27)18(13-21)19-20(25-12-4-11-22-25)24-17-6-3-2-5-16(17)23-19/h2-12,18H,1H3