(2E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: (2E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: (2E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H19N3O3S/c1-24-17-6-3-2-5-16(17)23-21(24)15(12-22)18(25)13-28-14-7-8-19-20(11-14)27-10-4-9-26-19/h2-3,5-8,11,23H,4,9-10,13H2,1H3/b21-15+