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

Systemtic Name: (E)-3-azanyl-2-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]but-2-enenitrile Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4OS/c1-3-19-13-7-5-4-6-12(13)18-15(19)21-9-14(20)11(8-16)10(2)17/h4-7H,3,9,17H2,1-2H3/b11-10+