methyl (E)-4-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]but-2-enoate

Systemtic Name: methyl (E)-4-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]but-2-enoate Openeye Name: methyl (E)-4-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]but-2-enoate CAS Name: (E)-4-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]but-2-enoate Traditional Name: (E)-4-[(5-keto-6-methyl-2H-1,2,4-triazin-3-yl)thio]but-2-enoic acid methyl ester Formula: C9H11N3O3S MolecularWeight: 241.26694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)SCC=CC(=O)OC

Isomeric SMILES

CC1=NNC(=NC1=O)SC/C=C/C(=O)OC

InChI

InChI=1S/C9H11N3O3S/c1-6-8(14)10-9(12-11-6)16-5-3-4-7(13)15-2/h3-4H,5H2,1-2H3,(H,10,12,14)/b4-3+