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

Systemtic Name: (2R)-2-ethanimidoyl-3-oxidanylidene-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: (2R)-2-ethanimidoyl-3-oxo-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: (2R)-2-(1-iminoethyl)-3-oxo-4-[(4-pentyl-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: (2R)-2-ethanimidoyl-3-oxo-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[(4-amyl-1,2,4-triazol-3-yl)thio]-3-keto-butyronitrile Formula: C13H19N5OS MolecularWeight: 293.38786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C13H19N5OS/c1-3-4-5-6-18-9-16-17-13(18)20-8-12(19)11(7-14)10(2)15/h9,11,15H,3-6,8H2,1-2H3/t11-/m0/s1