3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]benzimidazol-1-yl]propionitrile Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC4=CC=CC=C4N3CCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC4=CC=CC=C4N3CCC#N

InChI

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