(E)-3-azanyl-2-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]but-2-enenitrile Formula: C11H15N5OS MolecularWeight: 265.3347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C11H15N5OS/c1-3-4-10-14-11(16-15-10)18-6-9(17)8(5-12)7(2)13/h3-4,6,13H2,1-2H3,(H,14,15,16)/b8-7+