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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]acetonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanylacetonitrile Traditional Name: 2-[[5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]acetonitrile Formula: C20H15N3O3S MolecularWeight: 377.4164

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O3S/c1-13-2-5-15(6-3-13)23-19(24)16(22-20(23)27-9-8-21)10-14-4-7-17-18(11-14)26-12-25-17/h2-7,10-11H,9,12H2,1H3