2-[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-(2-cyanophenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-(2-cyanophenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide Traditional Name: N-(2-cyanophenyl)-2-[[5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]acetamide Formula: C27H20N4O4S MolecularWeight: 496.5371

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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=C2SCC(=O)NC5=CC=CC=C5C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N=C2SCC(=O)NC5=CC=CC=C5C#N

InChI

InChI=1S/C27H20N4O4S/c1-17-6-9-20(10-7-17)31-26(33)22(12-18-8-11-23-24(13-18)35-16-34-23)30-27(31)36-15-25(32)29-21-5-3-2-4-19(21)14-28/h2-13H,15-16H2,1H3,(H,29,32)