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

Systemtic Name: 3-[1-methyl-2,2-bis(oxidanylidene)-3H-2,1-benzothiazol-3-yl]propanenitrile Openeye Name: 3-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-3-yl)propanenitrile CAS Name: 3-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-3-yl)propanenitrile IUPAC Name: 3-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-3-yl)propanenitrile Traditional Name: 3-(2,2-diketo-1-methyl-3H-2,1-benzothiazol-3-yl)propionitrile Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(S1(=O)=O)CCC#N

Isomeric SMILES

CN1C2=CC=CC=C2C(S1(=O)=O)CCC#N

InChI

InChI=1S/C11H12N2O2S/c1-13-10-6-3-2-5-9(10)11(7-4-8-12)16(13,14)15/h2-3,5-6,11H,4,7H2,1H3