(2Z)-2-[4-(4-ethoxyphenyl)-3-(phenylmethyl)-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-[4-(4-ethoxyphenyl)-3-(phenylmethyl)-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-benzyl-4-(4-ethoxyphenyl)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-[4-(4-ethoxyphenyl)-3-(phenylmethyl)-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-benzyl-4-(4-ethoxyphenyl)-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-benzyl-4-p-phenetyl-4-thiazolin-2-ylidene)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)acetonitrile hydrobromide Formula: C27H28BrN5OS MolecularWeight: 550.51312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C(C#N)C3=NN=C4N3CCCCC4)N2CC5=CC=CC=C5.Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CS/C(=C(/C#N)\C3=NN=C4N3CCCCC4)/N2CC5=CC=CC=C5.Br

InChI

InChI=1S/C27H27N5OS.BrH/c1-2-33-22-14-12-21(13-15-22)24-19-34-27(32(24)18-20-9-5-3-6-10-20)23(17-28)26-30-29-25-11-7-4-8-16-31(25)26;/h3,5-6,9-10,12-15,19H,2,4,7-8,11,16,18H2,1H3;1H/b27-23-;