(2R)-2-ethanimidoyl-4-[(2-methylphenyl)methylsulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-2-ethanimidoyl-4-[(2-methylphenyl)methylsulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2R)-2-ethanimidoyl-4-(o-tolylmethylsulfanyl)-3-oxo-butanenitrile CAS Name: (2R)-2-(1-iminoethyl)-4-[(2-methylphenyl)methylthio]-3-oxobutanenitrile IUPAC Name: (2R)-2-ethanimidoyl-4-[(2-methylphenyl)methylsulfanyl]-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-3-keto-4-[(2-methylbenzyl)thio]butyronitrile Formula: C14H16N2OS MolecularWeight: 260.35464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C14H16N2OS/c1-10-5-3-4-6-12(10)8-18-9-14(17)13(7-15)11(2)16/h3-6,13,16H,8-9H2,1-2H3/t13-/m0/s1