(2E)-2-[(4R)-4-(4-bromanyl-2-chloranyl-phenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile

Systemtic Name: (2E)-2-[(4R)-4-(4-bromanyl-2-chloranyl-phenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile Openeye Name: (2E)-2-[(4R)-4-(4-bromo-2-chloro-phenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-acetonitrile CAS Name: (2E)-2-[(4R)-4-(4-bromo-2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-(1-imidazolyl)acetonitrile IUPAC Name: (2E)-2-[(4R)-4-(4-bromo-2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile Traditional Name: (2E)-2-[(4R)-4-(4-bromo-2-chloro-phenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-acetonitrile Formula: C14H9BrClN3S2 MolecularWeight: 398.72836

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=C(C#N)N2C=CN=C2)S1)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1[C@H](S/C(=C(\C#N)/N2C=CN=C2)/S1)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C14H9BrClN3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1