4-[ethyl(3-propylsulfanylpropyl)amino]-2-(3-oxidanylpropoxy)benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCN(CC)C1=CC(=C(C=C1)C#N)OCCCO

Isomeric SMILES

CCCSCCCN(CC)C1=CC(=C(C=C1)C#N)OCCCO

InChI

InChI=1S/C18H28N2O2S/c1-3-12-23-13-5-9-20(4-2)17-8-7-16(15-19)18(14-17)22-11-6-10-21/h7-8,14,21H,3-6,9-13H2,1-2H3