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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-keto-butyronitrile Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)OC1

InChI

InChI=1S/C20H17N3O3S/c21-11-14(20-22-15-4-1-2-5-16(15)23-20)17(24)12-27-13-6-7-18-19(10-13)26-9-3-8-25-18/h1-2,4-7,10,22-23H,3,8-9,12H2