(E)-3-(2-chloranyl-7-methyl-quinolin-3-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2-chloranyl-7-methyl-quinolin-3-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(2-chloro-7-methyl-3-quinolyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(2-chloro-7-methyl-3-quinolinyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(2-chloro-7-methylquinolin-3-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(2-chloro-7-methyl-3-quinolyl)-2-tosyl-acrylonitrile Formula: C20H15ClN2O2S MolecularWeight: 382.8633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N=C3C=C(C=CC3=C2)C)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(N=C3C=C(C=CC3=C2)C)Cl)/C#N

InChI

InChI=1S/C20H15ClN2O2S/c1-13-4-7-17(8-5-13)26(24,25)18(12-22)11-16-10-15-6-3-14(2)9-19(15)23-20(16)21/h3-11H,1-2H3/b18-11+