2-[2-oxidanylidene-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]sulfanylethanenitrile

Systemtic Name: 2-[2-oxidanylidene-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]sulfanylethanenitrile Openeye Name: 2-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]sulfanylacetonitrile CAS Name: 2-[[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thio]acetonitrile IUPAC Name: 2-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]sulfanylacetonitrile Traditional Name: 2-[[2-keto-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thio]acetonitrile Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)C2=CCN(CC2)C(=O)CSCC#N)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)C2=CCN(CC2)C(=O)CSCC#N)OC

InChI

InChI=1S/C18H22N2O4S/c1-22-14-10-15(23-2)18(16(11-14)24-3)13-4-7-20(8-5-13)17(21)12-25-9-6-19/h4,10-11H,5,7-9,12H2,1-3H3