3-(5-azanyl-6-sulfanyl-hexoxy)benzenecarbonitrile

Systemtic Name: 3-(5-azanyl-6-sulfanyl-hexoxy)benzenecarbonitrile Openeye Name: 3-(5-amino-6-sulfanyl-hexoxy)benzonitrile CAS Name: 3-(5-amino-6-mercaptohexoxy)benzonitrile IUPAC Name: 3-(5-amino-6-sulfanylhexoxy)benzonitrile Traditional Name: 3-(5-amino-6-mercapto-hexoxy)benzonitrile Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCCC(CS)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)OCCCCC(CS)N)C#N

InChI

InChI=1S/C13H18N2OS/c14-9-11-4-3-6-13(8-11)16-7-2-1-5-12(15)10-17/h3-4,6,8,12,17H,1-2,5,7,10,15H2