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

Systemtic Name: (E)-3-azanyl-2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4-phenyl-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=NN=CN1C2=CC=CC=C2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NN=CN1C2=CC=CC=C2)/N

InChI

InChI=1S/C14H13N5OS/c1-10(16)12(7-15)13(20)8-21-14-18-17-9-19(14)11-5-3-2-4-6-11/h2-6,9H,8,16H2,1H3/b12-10+