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

Systemtic Name: (2R)-4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2R)-4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-3-keto-butyronitrile Formula: C15H21N5OS MolecularWeight: 319.42514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C15H21N5OS/c1-10(17)13(8-16)14(21)9-22-15-19-18-11(2)20(15)12-6-4-3-5-7-12/h12-13,17H,3-7,9H2,1-2H3/t13-/m0/s1