(2R)-2-ethanimidoyl-4-(1-ethylbenzimidazol-2-yl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-2-ethanimidoyl-4-(1-ethylbenzimidazol-2-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-2-ethanimidoyl-4-(1-ethylbenzimidazol-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2R)-4-[(1-ethyl-2-benzimidazolyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-2-ethanimidoyl-4-(1-ethylbenzimidazol-2-yl)sulfanyl-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[(1-ethylbenzimidazol-2-yl)thio]-3-keto-butyronitrile Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C15H16N4OS/c1-3-19-13-7-5-4-6-12(13)18-15(19)21-9-14(20)11(8-16)10(2)17/h4-7,11,17H,3,9H2,1-2H3/t11-/m0/s1