8-methyl-7-oxidanylidene-3-(oxiran-2-ylmethylsulfanyl)-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile

Systemtic Name: 8-methyl-7-oxidanylidene-3-(oxiran-2-ylmethylsulfanyl)-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Openeye Name: 8-methyl-3-(oxiran-2-ylmethylsulfanyl)-7-oxo-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile CAS Name: 8-methyl-3-(2-oxiranylmethylthio)-7-oxo-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile IUPAC Name: 8-methyl-3-(oxiran-2-ylmethylsulfanyl)-7-oxo-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Traditional Name: 3-(glycidylthio)-7-keto-8-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Formula: C16H13N5O2S MolecularWeight: 339.37172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N2C1=NN=C2SCC3CO3)C4=CC=CC=C4)C#N

Isomeric SMILES

CN1C(=O)C(=C(N2C1=NN=C2SCC3CO3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C16H13N5O2S/c1-20-14(22)12(7-17)13(10-5-3-2-4-6-10)21-15(20)18-19-16(21)24-9-11-8-23-11/h2-6,11H,8-9H2,1H3