2-[1-(cyanomethylidene)-3-(1-quinolin-2-ylsulfanylcyclohexyl)-4-oxa-2-thiaspiro[4.5]decan-3-yl]ethanenitrile

Systemtic Name: 2-[1-(cyanomethylidene)-3-(1-quinolin-2-ylsulfanylcyclohexyl)-4-oxa-2-thiaspiro[4.5]decan-3-yl]ethanenitrile Openeye Name: 2-[1-(cyanomethylene)-3-[1-(2-quinolylsulfanyl)cyclohexyl]-4-oxa-2-thiaspiro[4.5]decan-3-yl]acetonitrile CAS Name: 2-[1-(cyanomethylidene)-3-[1-(2-quinolinylthio)cyclohexyl]-4-oxa-2-thiaspiro[4.5]decan-3-yl]acetonitrile IUPAC Name: 2-[1-(cyanomethylidene)-3-(1-quinolin-2-ylsulfanylcyclohexyl)-4-oxa-2-thiaspiro[4.5]decan-3-yl]acetonitrile Traditional Name: 2-[1-(cyanomethylene)-3-[1-(2-quinolylthio)cyclohexyl]-4-oxa-2-thiaspiro[4.5]decan-3-yl]acetonitrile Formula: C27H29N3OS2 MolecularWeight: 475.66866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=CC#N)SC(O2)(CC#N)C3(CCCCC3)SC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC2(CC1)C(=CC#N)SC(O2)(CC#N)C3(CCCCC3)SC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H29N3OS2/c28-19-13-23-25(14-5-1-6-15-25)31-27(32-23,18-20-29)26(16-7-2-8-17-26)33-24-12-11-21-9-3-4-10-22(21)30-24/h3-4,9-13H,1-2,5-8,14-18H2