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

Systemtic Name: 2-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-(1-butyl-3-methyl-benzimidazol-2-ylidene)ethanenitrile Openeye Name: 2-(1-butyl-3-methyl-benzimidazol-2-ylidene)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)acetonitrile CAS Name: 2-(1-butyl-3-methyl-2-benzimidazolylidene)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)acetonitrile IUPAC Name: 2-(1-butyl-3-methylbenzimidazol-2-ylidene)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)acetonitrile Traditional Name: 2-(1-butyl-3-methyl-benzimidazol-2-ylidene)-2-(1,1-diketo-1,2-benzothiazol-3-yl)acetonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-3-4-13-25-18-11-7-6-10-17(18)24(2)21(25)16(14-22)20-15-9-5-8-12-19(15)28(26,27)23-20/h5-12H,3-4,13H2,1-2H3