(E)-3-azanyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-(1,3,4-thiadiazol-2-ylthio)ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(1,3,4-thiadiazol-2-ylthio)acetyl]but-2-enenitrile Formula: C8H8N4OS2 MolecularWeight: 240.30532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NN=CS1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NN=CS1)/N

InChI

InChI=1S/C8H8N4OS2/c1-5(10)6(2-9)7(13)3-14-8-12-11-4-15-8/h4H,3,10H2,1H3/b6-5+