4-[(2S)-3-[ethyl(3-propylsulfanylpropyl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-[ethyl(3-propylsulfanylpropyl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-3-[ethyl(3-propylsulfanylpropyl)amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2S)-3-[ethyl-[3-(propylthio)propyl]amino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2S)-3-[ethyl(3-propylsulfanylpropyl)amino]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2S)-3-[ethyl-[3-(propylthio)propyl]amino]-2-hydroxy-propoxy]benzonitrile Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCN(CC)CC(COC1=CC=C(C=C1)C#N)O

Isomeric SMILES

CCCSCCCN(CC)C[C@@H](COC1=CC=C(C=C1)C#N)O

InChI

InChI=1S/C18H28N2O2S/c1-3-11-23-12-5-10-20(4-2)14-17(21)15-22-18-8-6-16(13-19)7-9-18/h6-9,17,21H,3-5,10-12,14-15H2,1-2H3/t17-/m0/s1