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

Systemtic Name: (E)-3-azanyl-2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]but-2-enenitrile Formula: C14H13N5OS MolecularWeight: 299.35092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5OS/c1-9(16)11(7-15)12(20)8-21-14-17-13(18-19-14)10-5-3-2-4-6-10/h2-6H,8,16H2,1H3,(H,17,18,19)/b11-9+