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

Systemtic Name: (2S)-2-ethanimidoyl-4-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2S)-4-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-3-keto-butyronitrile Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C(C#N)C(=N)C)CC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)[C@H](C#N)C(=N)C)CC2=CC=CC=C2

InChI

InChI=1S/C17H19N5OS/c1-3-22-16(9-13-7-5-4-6-8-13)20-21-17(22)24-11-15(23)14(10-18)12(2)19/h4-8,14,19H,3,9,11H2,1-2H3/t14-/m1/s1