2-[5-[(2,4-dichlorophenyl)methylidene]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanenitrile

Systemtic Name: 2-[5-[(2,4-dichlorophenyl)methylidene]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanenitrile Openeye Name: 2-[3-allyl-5-[(2,4-dichlorophenyl)methylene]-4-oxo-thiazolidin-2-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile CAS Name: 2-[5-[(2,4-dichlorophenyl)methylidene]-4-oxo-3-prop-2-enyl-2-thiazolidinylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile IUPAC Name: 2-[5-[(2,4-dichlorophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile Traditional Name: 2-[3-allyl-5-(2,4-dichlorobenzylidene)-4-keto-thiazolidin-2-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)acetonitrile Formula: C22H19Cl2N5OS MolecularWeight: 472.39016

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=C(C=C(C=C2)Cl)Cl)SC1=C(C#N)C3=NN=C4N3CCCCC4

Isomeric SMILES

C=CCN1C(=O)C(=CC2=C(C=C(C=C2)Cl)Cl)SC1=C(C#N)C3=NN=C4N3CCCCC4

InChI

InChI=1S/C22H19Cl2N5OS/c1-2-9-29-21(30)18(11-14-7-8-15(23)12-17(14)24)31-22(29)16(13-25)20-27-26-19-6-4-3-5-10-28(19)20/h2,7-8,11-12H,1,3-6,9-10H2