3-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(2-fluoro-4-methylanilino)-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C13H12FN4O2S- MolecularWeight: 307.323383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C)[O-])F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C)[O-])F

InChI

InChI=1S/C13H13FN4O2S/c1-7-3-4-10(9(14)5-7)15-11(19)6-21-13-16-12(20)8(2)17-18-13/h3-5H,6H2,1-2H3,(H,15,19)(H,16,18,20)/p-1