(E)-3-azanyl-2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(1H-benzimidazol-2-ylthio)acetyl]but-2-enenitrile Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=CC=CC=C2N1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=CC=CC=C2N1)/N

InChI

InChI=1S/C13H12N4OS/c1-8(15)9(6-14)12(18)7-19-13-16-10-4-2-3-5-11(10)17-13/h2-5H,7,15H2,1H3,(H,16,17)/b9-8+