4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxobutanenitrile IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C21H19N3O3S/c1-23-16-5-3-4-6-17(16)24(2)21(23)15(12-22)18(25)13-28-14-7-8-19-20(11-14)27-10-9-26-19/h3-8,11H,9-10,13H2,1-2H3