(2Z)-2-(3,4-diphenyl-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-(3,4-diphenyl-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-(3,4-diphenylthiazol-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-(3,4-diphenyl-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-(3,4-diphenyl-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-(3,4-diphenyl-4-thiazolin-2-ylidene)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)acetonitrile hydrobromide Formula: C24H22BrN5S MolecularWeight: 492.43398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N5S.BrH/c25-16-20(23-27-26-22-14-8-3-9-15-28(22)23)24-29(19-12-6-2-7-13-19)21(17-30-24)18-10-4-1-5-11-18;/h1-2,4-7,10-13,17H,3,8-9,14-15H2;1H/b24-20-;