4-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C15H16N6O2S MolecularWeight: 344.39154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1N)C2=CC=CC=C2OC

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1N)C2=CC=CC=C2OC

InChI

InChI=1S/C15H16N6O2S/c1-9(17)11(7-16)12(22)8-24-15-20-19-14(21(15)18)10-5-3-4-6-13(10)23-2/h3-6,11,17H,8,18H2,1-2H3