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

Systemtic Name: (2S)-2-ethanimidoyl-3-oxidanylidene-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-3-oxo-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: (2S)-2-ethanimidoyl-3-oxo-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(4-isopropyl-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)N1C=NN=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C11H15N5OS/c1-7(2)16-6-14-15-11(16)18-5-10(17)9(4-12)8(3)13/h6-7,9,13H,5H2,1-3H3/t9-/m1/s1