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

Systemtic Name: (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(2-oxidanyl-3-piperidin-1-yl-propyl)sulfanyl-ethanenitrile Openeye Name: (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[2-hydroxy-3-(1-piperidyl)propyl]sulfanyl-acetonitrile CAS Name: (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[[2-hydroxy-3-(1-piperidinyl)propyl]thio]acetonitrile IUPAC Name: (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(2-hydroxy-3-piperidin-1-ylpropyl)sulfanylacetonitrile Traditional Name: (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[(2-hydroxy-3-piperidino-propyl)thio]acetonitrile Formula: C19H25N3OS MolecularWeight: 343.4863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(CSC(=C2C3=CC=CC=C3CCN2)C#N)O

Isomeric SMILES

C1CCN(CC1)CC(CS/C(=C\2/C3=CC=CC=C3CCN2)/C#N)O

InChI

InChI=1S/C19H25N3OS/c20-12-18(19-17-7-3-2-6-15(17)8-9-21-19)24-14-16(23)13-22-10-4-1-5-11-22/h2-3,6-7,16,21,23H,1,4-5,8-11,13-14H2/b19-18-