bis(2-cyanoethyl)-(3-phenacyl-1,3,4-thiadiazol-2-ylidene)azanium bromide

Systemtic Name: bis(2-cyanoethyl)-(3-phenacyl-1,3,4-thiadiazol-2-ylidene)azanium bromide Openeye Name: bis(2-cyanoethyl)-(3-phenacyl-1,3,4-thiadiazol-2-ylidene)ammonium bromide CAS Name: bis(2-cyanoethyl)-(3-phenacyl-1,3,4-thiadiazol-2-ylidene)ammonium bromide IUPAC Name: bis(2-cyanoethyl)-(3-phenacyl-1,3,4-thiadiazol-2-ylidene)azanium bromide Traditional Name: bis(2-cyanoethyl)-(3-phenacyl-1,3,4-thiadiazol-2-ylidene)ammonium bromide Formula: C16H16BrN5OS MolecularWeight: 406.30014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CN2C(=[N+](CCC#N)CCC#N)SC=N2.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CN2C(=[N+](CCC#N)CCC#N)SC=N2.[Br-]

InChI

InChI=1S/C16H16N5OS.BrH/c17-8-4-10-20(11-5-9-18)16-21(19-13-23-16)12-15(22)14-6-2-1-3-7-14;/h1-3,6-7,13H,4-5,10-12H2;1H/q+1;/p-1