2-(3-chloranylquinoxalin-2-yl)-2-(3,4-dimethylphenyl)sulfonyl-ethanenitrile

Systemtic Name: 2-(3-chloranylquinoxalin-2-yl)-2-(3,4-dimethylphenyl)sulfonyl-ethanenitrile Openeye Name: 2-(3-chloroquinoxalin-2-yl)-2-(3,4-dimethylphenyl)sulfonyl-acetonitrile CAS Name: 2-(3-chloro-2-quinoxalinyl)-2-(3,4-dimethylphenyl)sulfonylacetonitrile IUPAC Name: 2-(3-chloroquinoxalin-2-yl)-2-(3,4-dimethylphenyl)sulfonylacetonitrile Traditional Name: 2-(3-chloroquinoxalin-2-yl)-2-(3,4-dimethylphenyl)sulfonyl-acetonitrile Formula: C18H14ClN3O2S MolecularWeight: 371.84066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2Cl)C

InChI

InChI=1S/C18H14ClN3O2S/c1-11-7-8-13(9-12(11)2)25(23,24)16(10-20)17-18(19)22-15-6-4-3-5-14(15)21-17/h3-9,16H,1-2H3