5-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]pentanenitrile

Systemtic Name: 5-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]pentanenitrile Openeye Name: 5-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanenitrile CAS Name: 5-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanenitrile IUPAC Name: 5-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanenitrile Traditional Name: 5-(1,1,3-triketo-1,2-benzothiazol-2-yl)valeronitrile Formula: C12H12N2O3S MolecularWeight: 264.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCCC#N

InChI

InChI=1S/C12H12N2O3S/c13-8-4-1-5-9-14-12(15)10-6-2-3-7-11(10)18(14,16)17/h2-3,6-7H,1,4-5,9H2