(2Z)-2-[4-(4-ethoxyphenyl)-3-prop-2-enyl-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-prop-2-enyl-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-allyl-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-prop-2-enyl-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-[4-(4-ethoxyphenyl)-3-prop-2-enyl-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-allyl-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: C23H26BrN5OS MolecularWeight: 500.45444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C(C#N)C3=NN=C4N3CCCCC4)N2CC=C.Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CS/C(=C(/C#N)\C3=NN=C4N3CCCCC4)/N2CC=C.Br

InChI

InChI=1S/C23H25N5OS.BrH/c1-3-13-27-20(17-9-11-18(12-10-17)29-4-2)16-30-23(27)19(15-24)22-26-25-21-8-6-5-7-14-28(21)22;/h3,9-12,16H,1,4-8,13-14H2,2H3;1H/b23-19-;