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

Systemtic Name: (E)-3-azanyl-2-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]but-2-enenitrile Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=CC=CC=C2N1C)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=CC=CC=C2N1C)/N

InChI

InChI=1S/C14H14N4OS/c1-9(16)10(7-15)13(19)8-20-14-17-11-5-3-4-6-12(11)18(14)2/h3-6H,8,16H2,1-2H3/b10-9+