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

Systemtic Name: 3-[1,3-dimethyl-2,2-bis(oxidanylidene)-2,1-benzothiazol-3-yl]propanenitrile Openeye Name: 3-(1,3-dimethyl-2,2-dioxo-2,1-benzothiazol-3-yl)propanenitrile CAS Name: 3-(1,3-dimethyl-2,2-dioxo-2,1-benzothiazol-3-yl)propanenitrile IUPAC Name: 3-(1,3-dimethyl-2,2-dioxo-2,1-benzothiazol-3-yl)propanenitrile Traditional Name: 3-(2,2-diketo-1,3-dimethyl-2,1-benzothiazol-3-yl)propionitrile Formula: C12H14N2O2S MolecularWeight: 250.31676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(S1(=O)=O)C)CCC#N

Isomeric SMILES

CC1(C2=CC=CC=C2N(S1(=O)=O)C)CCC#N

InChI

InChI=1S/C12H14N2O2S/c1-12(8-5-9-13)10-6-3-4-7-11(10)14(2)17(12,15)16/h3-4,6-7H,5,8H2,1-2H3