(2S)-2-ethanimidoyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-ethanimidoyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-(1-isopentylbenzimidazol-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[[1-(3-methylbutyl)-2-benzimidazolyl]thio]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(1-isoamylbenzimidazol-2-yl)thio]-3-keto-butyronitrile Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C18H22N4OS/c1-12(2)8-9-22-16-7-5-4-6-15(16)21-18(22)24-11-17(23)14(10-19)13(3)20/h4-7,12,14,20H,8-9,11H2,1-3H3/t14-/m1/s1