(2Z)-2-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanenitrile hydrobromide

Systemtic Name: (2Z)-2-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanenitrile hydrobromide Openeye Name: (2Z)-2-(3-ethyl-4-phenyl-thiazol-2-ylidene)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile hydrobromide CAS Name: (2Z)-2-(3-ethyl-4-phenyl-2-thiazolylidene)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile hydrobromide IUPAC Name: (2Z)-2-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile hydrobromide Traditional Name: (2Z)-2-(3-ethyl-4-phenyl-4-thiazolin-2-ylidene)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)acetonitrile hydrobromide Formula: C20H22BrN5S MolecularWeight: 444.39118

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CSC1=C(C#N)C2=NN=C3N2CCCCC3)C4=CC=CC=C4.Br

Isomeric SMILES

CCN\1C(=CS/C1=C(/C#N)\C2=NN=C3N2CCCCC3)C4=CC=CC=C4.Br

InChI

InChI=1S/C20H21N5S.BrH/c1-2-24-17(15-9-5-3-6-10-15)14-26-20(24)16(13-21)19-23-22-18-11-7-4-8-12-25(18)19;/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3;1H/b20-16-;