(4R)-2-(1H-benzimidazol-2-yl)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-methylsulfanyl-3-oxidanylidene-hexanenitrile

Systemtic Name: (4R)-2-(1H-benzimidazol-2-yl)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-methylsulfanyl-3-oxidanylidene-hexanenitrile Openeye Name: (4R)-2-(1H-benzimidazol-2-yl)-4-(1,3-dioxoisoindolin-2-yl)-6-methylsulfanyl-3-oxo-hexanenitrile CAS Name: (4R)-2-(1H-benzimidazol-2-yl)-4-(1,3-dioxo-2-isoindolyl)-6-(methylthio)-3-oxohexanenitrile IUPAC Name: (4R)-2-(1H-benzimidazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyl-3-oxohexanenitrile Traditional Name: (4R)-2-(1H-benzimidazol-2-yl)-3-keto-6-(methylthio)-4-phthalimido-hexanenitrile Formula: C22H18N4O3S MolecularWeight: 418.46832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C(C#N)C1=NC2=CC=CC=C2N1)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCC[C@H](C(=O)C(C#N)C1=NC2=CC=CC=C2N1)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H18N4O3S/c1-30-11-10-18(26-21(28)13-6-2-3-7-14(13)22(26)29)19(27)15(12-23)20-24-16-8-4-5-9-17(16)25-20/h2-9,15,18H,10-11H2,1H3,(H,24,25)/t15?,18-/m1/s1