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

Systemtic Name: 3-[ethyl(3-propylsulfanylpropyl)amino]-2-(3-oxidanylpropoxy)benzenecarbonitrile Openeye Name: 3-[ethyl(3-propylsulfanylpropyl)amino]-2-(3-hydroxypropoxy)benzonitrile CAS Name: 3-[ethyl-[3-(propylthio)propyl]amino]-2-(3-hydroxypropoxy)benzonitrile IUPAC Name: 3-[ethyl(3-propylsulfanylpropyl)amino]-2-(3-hydroxypropoxy)benzonitrile Traditional Name: 3-[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=CC(=C1OCCCO)C#N

Isomeric SMILES

CCCSCCCN(CC)C1=CC=CC(=C1OCCCO)C#N

InChI

InChI=1S/C18H28N2O2S/c1-3-13-23-14-6-10-20(4-2)17-9-5-8-16(15-19)18(17)22-12-7-11-21/h5,8-9,21H,3-4,6-7,10-14H2,1-2H3