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

Systemtic Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(homoveratrylamino)-2-keto-ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C21H21N4O4S- MolecularWeight: 425.48084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)[O-])OC

InChI

InChI=1S/C21H22N4O4S/c1-28-16-9-8-14(12-17(16)29-2)10-11-22-18(26)13-30-21-23-20(27)19(24-25-21)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,22,26)(H,23,25,27)/p-1