(2R)-4-(4,8-dimethylquinolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-4-(4,8-dimethylquinolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-[(4,8-dimethyl-2-quinolyl)sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2R)-4-[(4,8-dimethyl-2-quinolinyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-4-(4,8-dimethylquinolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[(4,8-dimethyl-2-quinolyl)thio]-3-keto-butyronitrile Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C17H17N3OS/c1-10-5-4-6-13-11(2)7-16(20-17(10)13)22-9-15(21)14(8-18)12(3)19/h4-7,14,19H,9H2,1-3H3/t14-/m0/s1