2-[(4E)-4-(cyanomethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-3-yl]ethanenitrile

Systemtic Name: 2-[(4E)-4-(cyanomethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-3-yl]ethanenitrile Openeye Name: 2-[(4E)-4-(cyanomethylene)-1-(p-tolylsulfonyl)-2,3-dihydroquinolin-3-yl]acetonitrile CAS Name: 2-[(4E)-4-(cyanomethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-3-yl]acetonitrile IUPAC Name: 2-[(4E)-4-(cyanomethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-3-yl]acetonitrile Traditional Name: 2-[(4E)-4-(cyanomethylene)-1-tosyl-2,3-dihydroquinolin-3-yl]acetonitrile Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(=CC#N)C3=CC=CC=C32)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(/C(=C\C#N)/C3=CC=CC=C32)CC#N

InChI

InChI=1S/C20H17N3O2S/c1-15-6-8-17(9-7-15)26(24,25)23-14-16(10-12-21)18(11-13-22)19-4-2-3-5-20(19)23/h2-9,11,16H,10,14H2,1H3/b18-11+