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

Systemtic Name: 3-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanylpropanenitrile Openeye Name: 3-[(4E)-4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanylpropanenitrile CAS Name: 3-[[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]propanenitrile IUPAC Name: 3-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[(4E)-5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]propionitrile Formula: C21H17N3O3S MolecularWeight: 391.44298

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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=C2SCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/N=C2SCCC#N

InChI

InChI=1S/C21H17N3O3S/c1-14-3-6-16(7-4-14)24-20(25)17(23-21(24)28-10-2-9-22)11-15-5-8-18-19(12-15)27-13-26-18/h3-8,11-12H,2,10,13H2,1H3/b17-11+