2-(imidazol-1-ylmethyl)-2-[4-(phenylsulfinyl)phenyl]hexanenitrile

Systemtic Name: 2-(imidazol-1-ylmethyl)-2-[4-(phenylsulfinyl)phenyl]hexanenitrile Openeye Name: 2-[4-(benzenesulfinyl)phenyl]-2-(imidazol-1-ylmethyl)hexanenitrile CAS Name: 2-[4-(benzenesulfinyl)phenyl]-2-(1-imidazolylmethyl)hexanenitrile IUPAC Name: 2-[4-(benzenesulfinyl)phenyl]-2-(imidazol-1-ylmethyl)hexanenitrile Traditional Name: 2-[4-(benzenesulfinyl)phenyl]-2-(imidazol-1-ylmethyl)hexanenitrile Formula: C22H23N3OS MolecularWeight: 377.50252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=CN=C1)(C#N)C2=CC=C(C=C2)S(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CN1C=CN=C1)(C#N)C2=CC=C(C=C2)S(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3OS/c1-2-3-13-22(16-23,17-25-15-14-24-18-25)19-9-11-21(12-10-19)27(26)20-7-5-4-6-8-20/h4-12,14-15,18H,2-3,13,17H2,1H3