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

Systemtic Name: (2S)-2-ethanimidoyl-4-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: (2S)-4-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2S/c1-4-22-16(12-5-7-13(24-3)8-6-12)20-21-17(22)25-10-15(23)14(9-18)11(2)19/h5-8,14,19H,4,10H2,1-3H3/t14-/m1/s1