(2E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: (2E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: (2E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H17N3O3S/c1-23-16-5-3-2-4-15(16)22-20(23)14(11-21)17(24)12-27-13-6-7-18-19(10-13)26-9-8-25-18/h2-7,10,22H,8-9,12H2,1H3/b20-14+