2-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-(1-butyl-3-ethyl-benzimidazol-2-ylidene)ethanenitrile

Systemtic Name: 2-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-(1-butyl-3-ethyl-benzimidazol-2-ylidene)ethanenitrile Openeye Name: 2-(1-butyl-3-ethyl-benzimidazol-2-ylidene)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)acetonitrile CAS Name: 2-(1-butyl-3-ethyl-2-benzimidazolylidene)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)acetonitrile IUPAC Name: 2-(1-butyl-3-ethylbenzimidazol-2-ylidene)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)acetonitrile Traditional Name: 2-(1-butyl-3-ethyl-benzimidazol-2-ylidene)-2-(1,1-diketo-1,2-benzothiazol-3-yl)acetonitrile Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N(C1=C(C#N)C3=NS(=O)(=O)C4=CC=CC=C43)CC

Isomeric SMILES

CCCCN1C2=CC=CC=C2N(C1=C(C#N)C3=NS(=O)(=O)C4=CC=CC=C43)CC

InChI

InChI=1S/C22H22N4O2S/c1-3-5-14-26-19-12-8-7-11-18(19)25(4-2)22(26)17(15-23)21-16-10-6-9-13-20(16)29(27,28)24-21/h6-13H,3-5,14H2,1-2H3