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

Systemtic Name: (E)-3-azanyl-2-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-2-[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]-3-amino-but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-2-[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]-3-amino-but-2-enenitrile Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=CC=CC=C2N1CC=C)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=CC=CC=C2N1CC=C)/N

InChI

InChI=1S/C16H16N4OS/c1-3-8-20-14-7-5-4-6-13(14)19-16(20)22-10-15(21)12(9-17)11(2)18/h3-7H,1,8,10,18H2,2H3/b12-11+