4-[[1H-benzimidazol-2-yl(cyano)methyl]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

Systemtic Name: 4-[[1H-benzimidazol-2-yl(cyano)methyl]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide Openeye Name: 4-[1H-benzimidazol-2-yl(cyano)methyl]azo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide CAS Name: 4-[1H-benzimidazol-2-yl(cyano)methyl]azo-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[[1H-benzimidazol-2-yl(cyano)methyl]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide Traditional Name: 4-[1H-benzimidazol-2-yl(cyano)methyl]azo-N-(4-methylpyrimidin-2-yl)benzenesulfonamide Formula: C20H16N8O2S MolecularWeight: 432.45844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC(C#N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H16N8O2S/c1-13-10-11-22-20(23-13)28-31(29,30)15-8-6-14(7-9-15)26-27-18(12-21)19-24-16-4-2-3-5-17(16)25-19/h2-11,18H,1H3,(H,24,25)(H,22,23,28)