3-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]thio]-1,2,4-triazin-5-olate Formula: C12H10FN4O2S- MolecularWeight: 293.296803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSC2=NC(=CN=N2)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSC2=NC(=CN=N2)[O-])F

InChI

InChI=1S/C12H11FN4O2S/c13-9-3-1-8(2-4-9)5-14-11(19)7-20-12-16-10(18)6-15-17-12/h1-4,6H,5,7H2,(H,14,19)(H,16,17,18)/p-1