(2S)-4-[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-4-[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2S)-4-[[5-(4-bromophenyl)-1-ethyl-2-imidazolyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-[5-(4-bromophenyl)-1-ethylimidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]thio]-3-keto-butyronitrile Formula: C17H17BrN4OS MolecularWeight: 405.31208

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)C(C#N)C(=N)C)C2=CC=C(C=C2)Br

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)[C@H](C#N)C(=N)C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H17BrN4OS/c1-3-22-15(12-4-6-13(18)7-5-12)9-21-17(22)24-10-16(23)14(8-19)11(2)20/h4-7,9,14,20H,3,10H2,1-2H3/t14-/m1/s1