(2R)-2-ethanimidoyl-4-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-2-ethanimidoyl-4-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-2-ethanimidoyl-4-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2R)-4-[(1-ethyl-5-phenyl-2-imidazolyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-2-ethanimidoyl-4-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[(1-ethyl-5-phenyl-imidazol-2-yl)thio]-3-keto-butyronitrile Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)C(C#N)C(=N)C)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)[C@@H](C#N)C(=N)C)C2=CC=CC=C2

InChI

InChI=1S/C17H18N4OS/c1-3-21-15(13-7-5-4-6-8-13)10-20-17(21)23-11-16(22)14(9-18)12(2)19/h4-8,10,14,19H,3,11H2,1-2H3/t14-/m0/s1