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

Systemtic Name: (E)-3-azanyl-2-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(1-isobutylbenzimidazol-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(1-isobutylbenzimidazol-2-yl)thio]acetyl]but-2-enenitrile Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C17H20N4OS/c1-11(2)9-21-15-7-5-4-6-14(15)20-17(21)23-10-16(22)13(8-18)12(3)19/h4-7,11H,9-10,19H2,1-3H3/b13-12+