4-[[5-[(4-bromanylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[[5-[(4-bromanylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C15H14BrN5O2S MolecularWeight: 408.27296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NNC(=N1)COC2=CC=C(C=C2)Br

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NNC(=N1)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H14BrN5O2S/c1-9(18)12(6-17)13(22)8-24-15-19-14(20-21-15)7-23-11-4-2-10(16)3-5-11/h2-5,12,18H,7-8H2,1H3,(H,19,20,21)