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

Systemtic Name: 2-methyl-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanenitrile Openeye Name: 2-methyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanenitrile CAS Name: 2-methyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanenitrile IUPAC Name: 2-methyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanenitrile Traditional Name: 2-methyl-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionitrile Formula: C11H10N2O3S MolecularWeight: 250.2737

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=CC=CC=C2S1(=O)=O)C#N

Isomeric SMILES

CC(CN1C(=O)C2=CC=CC=C2S1(=O)=O)C#N

InChI

InChI=1S/C11H10N2O3S/c1-8(6-12)7-13-11(14)9-4-2-3-5-10(9)17(13,15)16/h2-5,8H,7H2,1H3