(2Z)-2-[4-(4-bromophenyl)-3-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-[4-(4-bromophenyl)-3-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-[4-(4-bromophenyl)-3-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-[4-(4-bromophenyl)-3-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-[4-(4-bromophenyl)-3-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-[4-(4-bromophenyl)-3-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: C24H21Br2N5S MolecularWeight: 571.33004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrN5S.BrH/c25-18-12-10-17(11-13-18)21-16-31-24(30(21)19-7-3-1-4-8-19)20(15-26)23-28-27-22-9-5-2-6-14-29(22)23;/h1,3-4,7-8,10-13,16H,2,5-6,9,14H2;1H/b24-20-;