2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanenitrile Openeye Name: 2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylacetonitrile CAS Name: 2-[(1-methyl-5-phenyl-2-imidazolyl)thio]acetonitrile IUPAC Name: 2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetonitrile Traditional Name: 2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]acetonitrile Formula: C12H11N3S MolecularWeight: 229.30084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC#N)C2=CC=CC=C2

Isomeric SMILES

CN1C(=CN=C1SCC#N)C2=CC=CC=C2

InChI

InChI=1S/C12H11N3S/c1-15-11(10-5-3-2-4-6-10)9-14-12(15)16-8-7-13/h2-6,9H,8H2,1H3