3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]propanenitrile

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]propanenitrile Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]propanenitrile CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]propanenitrile IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]propanenitrile Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]propionitrile Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CN(CCC#N)C1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C11H11N3O2S/c1-14(8-4-7-12)11-9-5-2-3-6-10(9)17(15,16)13-11/h2-3,5-6H,4,8H2,1H3