2,5-bis(1,3-benzothiazol-2-yl)-3,4-bis(oxidanylidene)hexanedinitrile

Systemtic Name: 2,5-bis(1,3-benzothiazol-2-yl)-3,4-bis(oxidanylidene)hexanedinitrile Openeye Name: 2,5-bis(1,3-benzothiazol-2-yl)-3,4-dioxo-hexanedinitrile CAS Name: 2,5-bis(1,3-benzothiazol-2-yl)-3,4-dioxohexanedinitrile IUPAC Name: 2,5-bis(1,3-benzothiazol-2-yl)-3,4-dioxohexanedinitrile Traditional Name: 2,5-bis(1,3-benzothiazol-2-yl)-3,4-diketo-adiponitrile Formula: C20H10N4O2S2 MolecularWeight: 402.449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H10N4O2S2/c21-9-11(19-23-13-5-1-3-7-15(13)27-19)17(25)18(26)12(10-22)20-24-14-6-2-4-8-16(14)28-20/h1-8,11-12H