(2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(3-morpholin-4-yl-2-oxidanyl-propyl)sulfanyl-ethanenitrile

Systemtic Name: (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(3-morpholin-4-yl-2-oxidanyl-propyl)sulfanyl-ethanenitrile Openeye Name: (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(2-hydroxy-3-morpholino-propyl)sulfanyl-acetonitrile CAS Name: (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[[2-hydroxy-3-(4-morpholinyl)propyl]thio]acetonitrile IUPAC Name: (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(2-hydroxy-3-morpholin-4-ylpropyl)sulfanylacetonitrile Traditional Name: (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[(2-hydroxy-3-morpholino-propyl)thio]acetonitrile Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C(C#N)SCC(CN2CCOCC2)O)C3=CC=CC=C31

Isomeric SMILES

C1CN/C(=C(/C#N)\SCC(CN2CCOCC2)O)/C3=CC=CC=C31

InChI

InChI=1S/C18H23N3O2S/c19-11-17(18-16-4-2-1-3-14(16)5-6-20-18)24-13-15(22)12-21-7-9-23-10-8-21/h1-4,15,20,22H,5-10,12-13H2/b18-17-