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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxobutanenitrile IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C22H21N3O3S MolecularWeight: 407.48544

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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)OCCCO4)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C22H21N3O3S/c1-24-17-6-3-4-7-18(17)25(2)22(24)16(13-23)19(26)14-29-15-8-9-20-21(12-15)28-11-5-10-27-20/h3-4,6-9,12H,5,10-11,14H2,1-2H3