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

Systemtic Name: 4-[[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[(4E)-4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]methyl]benzonitrile IUPAC Name: 4-[[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[(4E)-5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]methyl]benzonitrile Formula: C26H19N3O3S MolecularWeight: 453.51236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N=C2SCC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/N=C2SCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H19N3O3S/c1-17-2-9-21(10-3-17)29-25(30)22(12-20-8-11-23-24(13-20)32-16-31-23)28-26(29)33-15-19-6-4-18(14-27)5-7-19/h2-13H,15-16H2,1H3/b22-12+