2-(4-chlorophenyl)sulfanyl-2-imidazol-1-yl-ethanenitrile

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-2-imidazol-1-yl-ethanenitrile Openeye Name: 2-(4-chlorophenyl)sulfanyl-2-imidazol-1-yl-acetonitrile CAS Name: 2-[(4-chlorophenyl)thio]-2-(1-imidazolyl)acetonitrile IUPAC Name: 2-(4-chlorophenyl)sulfanyl-2-imidazol-1-ylacetonitrile Traditional Name: 2-[(4-chlorophenyl)thio]-2-imidazol-1-yl-acetonitrile Formula: C11H8ClN3S MolecularWeight: 249.71932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC(C#N)N2C=CN=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1SC(C#N)N2C=CN=C2)Cl

InChI

InChI=1S/C11H8ClN3S/c12-9-1-3-10(4-2-9)16-11(7-13)15-6-5-14-8-15/h1-6,8,11H