2,7-bis(1,3-benzothiazol-2-yl)-3,6-bis(oxidanylidene)octanedinitrile

Systemtic Name: 2,7-bis(1,3-benzothiazol-2-yl)-3,6-bis(oxidanylidene)octanedinitrile Openeye Name: 2,7-bis(1,3-benzothiazol-2-yl)-3,6-dioxo-octanedinitrile CAS Name: 2,7-bis(1,3-benzothiazol-2-yl)-3,6-dioxooctanedinitrile IUPAC Name: 2,7-bis(1,3-benzothiazol-2-yl)-3,6-dioxooctanedinitrile Traditional Name: 2,7-bis(1,3-benzothiazol-2-yl)-3,6-diketo-suberonitrile Formula: C22H14N4O2S2 MolecularWeight: 430.50216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=O)CCC(=O)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=O)CCC(=O)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H14N4O2S2/c23-11-13(21-25-15-5-1-3-7-19(15)29-21)17(27)9-10-18(28)14(12-24)22-26-16-6-2-4-8-20(16)30-22/h1-8,13-14H,9-10H2