3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(homoveratrylamino)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C16H19N4O4S- MolecularWeight: 363.41146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)[O-]

InChI

InChI=1S/C16H20N4O4S/c1-10-15(22)18-16(20-19-10)25-9-14(21)17-7-6-11-4-5-12(23-2)13(8-11)24-3/h4-5,8H,6-7,9H2,1-3H3,(H,17,21)(H,18,20,22)/p-1