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

Systemtic Name: 3-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-(m-anisylamino)ethyl]thio]-1,2,4-triazin-5-olate Formula: C13H13N4O3S- MolecularWeight: 305.33232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CSC2=NC(=CN=N2)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CSC2=NC(=CN=N2)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-20-10-4-2-3-9(5-10)6-14-12(19)8-21-13-16-11(18)7-15-17-13/h2-5,7H,6,8H2,1H3,(H,14,19)(H,16,17,18)/p-1