(2Z)-2-[4-(4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)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-fluorophenyl)-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-fluorophenyl)-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-(4-fluorophenyl)-4-thiazolin-2-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)acetonitrile hydrobromide Formula: C25H23BrFN5S MolecularWeight: 524.451023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C(=C3N(C(=CS3)C4=CC=C(C=C4)F)CC5=CC=CC=C5)C#N.Br

Isomeric SMILES

C1CCC2=NN=C(N2CC1)/C(=C\3/N(C(=CS3)C4=CC=C(C=C4)F)CC5=CC=CC=C5)/C#N.Br

InChI

InChI=1S/C25H22FN5S.BrH/c26-20-12-10-19(11-13-20)22-17-32-25(31(22)16-18-7-3-1-4-8-18)21(15-27)24-29-28-23-9-5-2-6-14-30(23)24;/h1,3-4,7-8,10-13,17H,2,5-6,9,14,16H2;1H/b25-21-;