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

Systemtic Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(homoveratrylamino)-2-keto-ethyl]thio]-1,2,4-triazin-5-olate Formula: C15H17N4O4S- MolecularWeight: 349.38488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=CN=N2)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=CN=N2)[O-])OC

InChI

InChI=1S/C15H18N4O4S/c1-22-11-4-3-10(7-12(11)23-2)5-6-16-14(21)9-24-15-18-13(20)8-17-19-15/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,21)(H,18,19,20)/p-1