3-[3-(2-cyanoethylsulfanyl)-6-methyl-5-oxidanylidene-1,2,4-triazin-4-yl]propanenitrile

Systemtic Name: 3-[3-(2-cyanoethylsulfanyl)-6-methyl-5-oxidanylidene-1,2,4-triazin-4-yl]propanenitrile Openeye Name: 3-[3-(2-cyanoethylsulfanyl)-6-methyl-5-oxo-1,2,4-triazin-4-yl]propanenitrile CAS Name: 3-[3-(2-cyanoethylthio)-6-methyl-5-oxo-1,2,4-triazin-4-yl]propanenitrile IUPAC Name: 3-[3-(2-cyanoethylsulfanyl)-6-methyl-5-oxo-1,2,4-triazin-4-yl]propanenitrile Traditional Name: 3-[3-(2-cyanoethylthio)-5-keto-6-methyl-1,2,4-triazin-4-yl]propionitrile Formula: C10H11N5OS MolecularWeight: 249.29224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)CCC#N)SCCC#N

Isomeric SMILES

CC1=NN=C(N(C1=O)CCC#N)SCCC#N

InChI

InChI=1S/C10H11N5OS/c1-8-9(16)15(6-2-4-11)10(14-13-8)17-7-3-5-12/h2-3,6-7H2,1H3