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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(C#N)N2C=C(N=C2)C3=C(C=C(C=C3)Br)Cl)S1

Isomeric SMILES

C1CSC(=C(C#N)N2C=C(N=C2)C3=C(C=C(C=C3)Br)Cl)S1

InChI

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