(2Z)-2-[4-(4-methylphenyl)-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-methylphenyl)-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-(p-tolyl)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-methylphenyl)-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-methylphenyl)-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-tolyl)-4-thiazolin-2-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)acetonitrile hydrobromide Formula: C26H26BrN5S MolecularWeight: 520.48714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C(C#N)C3=NN=C4N3CCCCC4)N2CC5=CC=CC=C5.Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=CS/C(=C(/C#N)\C3=NN=C4N3CCCCC4)/N2CC5=CC=CC=C5.Br

InChI

InChI=1S/C26H25N5S.BrH/c1-19-11-13-21(14-12-19)23-18-32-26(31(23)17-20-8-4-2-5-9-20)22(16-27)25-29-28-24-10-6-3-7-15-30(24)25;/h2,4-5,8-9,11-14,18H,3,6-7,10,15,17H2,1H3;1H/b26-22-;