2-(2-azanyl-1-oxidanyl-ethyl)-4-ethyl-3-(3-propylsulfanylpropyl)benzenecarbonitrile

Systemtic Name: 2-(2-azanyl-1-oxidanyl-ethyl)-4-ethyl-3-(3-propylsulfanylpropyl)benzenecarbonitrile Openeye Name: 2-(2-amino-1-hydroxy-ethyl)-4-ethyl-3-(3-propylsulfanylpropyl)benzonitrile CAS Name: 2-(2-amino-1-hydroxyethyl)-4-ethyl-3-[3-(propylthio)propyl]benzonitrile IUPAC Name: 2-(2-amino-1-hydroxyethyl)-4-ethyl-3-(3-propylsulfanylpropyl)benzonitrile Traditional Name: 2-(2-amino-1-hydroxy-ethyl)-4-ethyl-3-[3-(propylthio)propyl]benzonitrile Formula: C17H26N2OS MolecularWeight: 306.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCC1=C(C=CC(=C1C(CN)O)C#N)CC

Isomeric SMILES

CCCSCCCC1=C(C=CC(=C1C(CN)O)C#N)CC

InChI

InChI=1S/C17H26N2OS/c1-3-9-21-10-5-6-15-13(4-2)7-8-14(11-18)17(15)16(20)12-19/h7-8,16,20H,3-6,9-10,12,19H2,1-2H3