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

Systemtic Name: (E)-3-azanyl-2-[2-(1-hexylbenzimidazol-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(1-hexyl-2-benzimidazolyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(1-hexylbenzimidazol-2-yl)thio]acetyl]but-2-enenitrile Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C19H24N4OS/c1-3-4-5-8-11-23-17-10-7-6-9-16(17)22-19(23)25-13-18(24)15(12-20)14(2)21/h6-7,9-10H,3-5,8,11,13,21H2,1-2H3/b15-14+