(2S)-2-ethanimidoyl-4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-ethanimidoyl-4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-butanenitrile CAS Name: (2S)-4-[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]-3-keto-butyronitrile Formula: C14H20N6O2S MolecularWeight: 336.4126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C(C#N)C(=N)C)N2CCOCC2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)[C@H](C#N)C(=N)C)N2CCOCC2

InChI

InChI=1S/C14H20N6O2S/c1-3-20-13(19-4-6-22-7-5-19)17-18-14(20)23-9-12(21)11(8-15)10(2)16/h11,16H,3-7,9H2,1-2H3/t11-/m1/s1