3-azanyl-5-ethyl-2-(1-hydroxyethyl)-4-(3-propylsulfanylpropyl)benzenecarbonitrile

Systemtic Name: 3-azanyl-5-ethyl-2-(1-hydroxyethyl)-4-(3-propylsulfanylpropyl)benzenecarbonitrile Openeye Name: 3-amino-5-ethyl-2-(1-hydroxyethyl)-4-(3-propylsulfanylpropyl)benzonitrile CAS Name: 3-amino-5-ethyl-2-(1-hydroxyethyl)-4-[3-(propylthio)propyl]benzonitrile IUPAC Name: 3-amino-5-ethyl-2-(1-hydroxyethyl)-4-(3-propylsulfanylpropyl)benzonitrile Traditional Name: 3-amino-5-ethyl-2-(1-hydroxyethyl)-4-[3-(propylthio)propyl]benzonitrile Formula: C17H26N2OS MolecularWeight: 306.46614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCC1=C(C=C(C(=C1N)C(C)O)C#N)CC

Isomeric SMILES

CCCSCCCC1=C(C=C(C(=C1N)C(C)O)C#N)CC

InChI

InChI=1S/C17H26N2OS/c1-4-8-21-9-6-7-15-13(5-2)10-14(11-18)16(12(3)20)17(15)19/h10,12,20H,4-9,19H2,1-3H3