4-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanylbutanenitrile Openeye Name: 4-[(4E)-4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanylbutanenitrile CAS Name: 4-[[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]butanenitrile IUPAC Name: 4-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[(4E)-5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]butyronitrile Formula: C22H19N3O3S MolecularWeight: 405.46956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N=C2SCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/N=C2SCCCC#N

InChI

InChI=1S/C22H19N3O3S/c1-15-4-7-17(8-5-15)25-21(26)18(24-22(25)29-11-3-2-10-23)12-16-6-9-19-20(13-16)28-14-27-19/h4-9,12-13H,2-3,11,14H2,1H3/b18-12+