(E)-3-azanyl-2-[2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(1-isopentylbenzimidazol-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[1-(3-methylbutyl)-2-benzimidazolyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(1-isoamylbenzimidazol-2-yl)thio]acetyl]but-2-enenitrile 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(C)N)C#N

Isomeric SMILES

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

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/h4-7,12H,8-9,11,20H2,1-3H3/b14-13+