(2R)-2-ethanimidoyl-3-oxidanylidene-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile

Systemtic Name: (2R)-2-ethanimidoyl-3-oxidanylidene-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: (2R)-2-ethanimidoyl-4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-butanenitrile CAS Name: (2R)-2-(1-iminoethyl)-3-oxo-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: (2R)-2-ethanimidoyl-3-oxo-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-3-keto-butyronitrile Formula: C11H15N5OS MolecularWeight: 265.3347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C11H15N5OS/c1-6(2)10-14-11(16-15-10)18-5-9(17)8(4-12)7(3)13/h6,8,13H,5H2,1-3H3,(H,14,15,16)/t8-/m0/s1