3-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(5-chloro-2,4-dimethoxy-anilino)-2-keto-ethyl]thio]-1,2,4-triazin-5-olate Formula: C13H12ClN4O4S- MolecularWeight: 355.77678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=NC(=CN=N2)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=NC(=CN=N2)[O-])Cl)OC

InChI

InChI=1S/C13H13ClN4O4S/c1-21-9-4-10(22-2)8(3-7(9)14)16-12(20)6-23-13-17-11(19)5-15-18-13/h3-5H,6H2,1-2H3,(H,16,20)(H,17,18,19)/p-1