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

Systemtic Name: (2S)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2S)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]-3-keto-butyronitrile Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C12H15N5OS/c1-7(14)10(5-13)11(18)6-19-12-16-15-8(2)17(12)9-3-4-9/h9-10,14H,3-4,6H2,1-2H3/t10-/m1/s1