2-[(4Z)-4-(cyanomethylidene)-5,5-dimethyl-2-(2-quinolin-2-ylsulfanylpropan-2-yl)-1,3-oxathiolan-2-yl]ethanenitrile

Systemtic Name: 2-[(4Z)-4-(cyanomethylidene)-5,5-dimethyl-2-(2-quinolin-2-ylsulfanylpropan-2-yl)-1,3-oxathiolan-2-yl]ethanenitrile Openeye Name: 2-[(4Z)-4-(cyanomethylene)-5,5-dimethyl-2-[1-methyl-1-(2-quinolylsulfanyl)ethyl]-1,3-oxathiolan-2-yl]acetonitrile CAS Name: 2-[(4Z)-4-(cyanomethylidene)-5,5-dimethyl-2-[2-(2-quinolinylthio)propan-2-yl]-1,3-oxathiolan-2-yl]acetonitrile IUPAC Name: 2-[(4Z)-4-(cyanomethylidene)-5,5-dimethyl-2-(2-quinolin-2-ylsulfanylpropan-2-yl)-1,3-oxathiolan-2-yl]acetonitrile Traditional Name: 2-[(4Z)-4-(cyanomethylene)-5,5-dimethyl-2-[1-methyl-1-(2-quinolylthio)ethyl]-1,3-oxathiolan-2-yl]acetonitrile Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC#N)SC(O1)(CC#N)C(C)(C)SC2=NC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1(/C(=C/C#N)/SC(O1)(CC#N)C(C)(C)SC2=NC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C21H21N3OS2/c1-19(2)17(11-13-22)26-21(25-19,12-14-23)20(3,4)27-18-10-9-15-7-5-6-8-16(15)24-18/h5-11H,12H2,1-4H3/b17-11-