3-[(2Z)-2-[cyano(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methylidene]hydrazinyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[(2Z)-2-[cyano(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methylidene]hydrazinyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: (3Z)-N-[3-(dimethylsulfamoyl)anilino]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboximidoyl cyanide CAS Name: 3-[(2Z)-2-[cyano(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methylidene]hydrazinyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: (3Z)-N-[3-(dimethylsulfamoyl)anilino]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboximidoyl cyanide Traditional Name: 3-[(N'Z)-N'-[cyano(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)methylene]hydrazino]-N,N-dimethyl-benzenesulfonamide Formula: C17H21N7O2S MolecularWeight: 387.45934

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NN=C(C#N)C2=NN=C3N2CCCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)N/N=C(/C#N)\C2=NN=C3N2CCCCC3

InChI

InChI=1S/C17H21N7O2S/c1-23(2)27(25,26)14-8-6-7-13(11-14)19-20-15(12-18)17-22-21-16-9-4-3-5-10-24(16)17/h6-8,11,19H,3-5,9-10H2,1-2H3/b20-15-