(2S)-2-ethanimidoyl-3-oxidanylidene-4-(2,3,5,6-tetramethylphenyl)sulfanyl-butanenitrile

Systemtic Name: (2S)-2-ethanimidoyl-3-oxidanylidene-4-(2,3,5,6-tetramethylphenyl)sulfanyl-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-3-oxo-4-(2,3,5,6-tetramethylphenyl)sulfanyl-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-3-oxo-4-[(2,3,5,6-tetramethylphenyl)thio]butanenitrile IUPAC Name: (2S)-2-ethanimidoyl-3-oxo-4-(2,3,5,6-tetramethylphenyl)sulfanylbutanenitrile Traditional Name: (2S)-2-acetimidoyl-3-keto-4-[(2,3,5,6-tetramethylphenyl)thio]butyronitrile Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC(=O)C(C#N)C(=N)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC(=O)[C@H](C#N)C(=N)C)C)C

InChI

InChI=1S/C16H20N2OS/c1-9-6-10(2)12(4)16(11(9)3)20-8-15(19)14(7-17)13(5)18/h6,14,18H,8H2,1-5H3/t14-/m1/s1