5-(1H-benzimidazol-2-ylsulfanyl)-3-oxidanylidene-2-phenyl-pentanenitrile

Systemtic Name: 5-(1H-benzimidazol-2-ylsulfanyl)-3-oxidanylidene-2-phenyl-pentanenitrile Openeye Name: 5-(1H-benzimidazol-2-ylsulfanyl)-3-oxo-2-phenyl-pentanenitrile CAS Name: 5-(1H-benzimidazol-2-ylthio)-3-oxo-2-phenylpentanenitrile IUPAC Name: 5-(1H-benzimidazol-2-ylsulfanyl)-3-oxo-2-phenylpentanenitrile Traditional Name: 5-(1H-benzimidazol-2-ylthio)-3-keto-2-phenyl-valeronitrile Formula: C18H15N3OS MolecularWeight: 321.3962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C(=O)CCSC2=NC3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)C(=O)CCSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H15N3OS/c19-12-14(13-6-2-1-3-7-13)17(22)10-11-23-18-20-15-8-4-5-9-16(15)21-18/h1-9,14H,10-11H2,(H,20,21)