(E)-3-azanyl-2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(1,3-benzoxazol-2-ylthio)acetyl]but-2-enenitrile Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=CC=CC=C2O1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=CC=CC=C2O1)/N

InChI

InChI=1S/C13H11N3O2S/c1-8(15)9(6-14)11(17)7-19-13-16-10-4-2-3-5-12(10)18-13/h2-5H,7,15H2,1H3/b9-8+