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

Systemtic Name: (E)-3-azanyl-2-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]but-2-enenitrile Formula: C16H17N5OS MolecularWeight: 327.40408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C(=C(C)N)C#N)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)/C(=C(\C)/N)/C#N)C2=CC=CC=C2

InChI

InChI=1S/C16H17N5OS/c1-3-21-15(12-7-5-4-6-8-12)19-20-16(21)23-10-14(22)13(9-17)11(2)18/h4-8H,3,10,18H2,1-2H3/b13-11+