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

Systemtic Name: (E)-3-azanyl-2-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]but-2-enenitrile Formula: C12H11N5OS2 MolecularWeight: 305.37864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NNC(=N1)C2=CC=CS2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NNC(=N1)C2=CC=CS2)/N

InChI

InChI=1S/C12H11N5OS2/c1-7(14)8(5-13)9(18)6-20-12-15-11(16-17-12)10-3-2-4-19-10/h2-4H,6,14H2,1H3,(H,15,16,17)/b8-7+