2-(4-azanylbutyl)-4-(3-propylsulfanylpropyl)benzenecarbonitrile

Systemtic Name: 2-(4-azanylbutyl)-4-(3-propylsulfanylpropyl)benzenecarbonitrile Openeye Name: 2-(4-aminobutyl)-4-(3-propylsulfanylpropyl)benzonitrile CAS Name: 2-(4-aminobutyl)-4-[3-(propylthio)propyl]benzonitrile IUPAC Name: 2-(4-aminobutyl)-4-(3-propylsulfanylpropyl)benzonitrile Traditional Name: 2-(4-aminobutyl)-4-[3-(propylthio)propyl]benzonitrile Formula: C17H26N2S MolecularWeight: 290.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCC1=CC(=C(C=C1)C#N)CCCCN

Isomeric SMILES

CCCSCCCC1=CC(=C(C=C1)C#N)CCCCN

InChI

InChI=1S/C17H26N2S/c1-2-11-20-12-5-6-15-8-9-17(14-19)16(13-15)7-3-4-10-18/h8-9,13H,2-7,10-12,18H2,1H3