5-[[[2-(2,5-dimethoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methylamino]methyl]-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-[[[2-(2,5-dimethoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methylamino]methyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[[[2-(2,5-dimethoxyphenyl)-7-methylsulfanyl-3-quinolyl]methylamino]methyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[[[2-(2,5-dimethoxyphenyl)-7-(methylthio)-3-quinolinyl]methylamino]methyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methylamino]methyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[[[2-(2,5-dimethoxyphenyl)-7-(methylthio)-3-quinolyl]methylamino]methyl]-1H-1,2,4-triazol-3-olate Formula: C22H22N5O3S- MolecularWeight: 436.50678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=C(C=C3C=CC(=CC3=N2)SC)CNCC4=NC(=NN4)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=C(C=C3C=CC(=CC3=N2)SC)CNCC4=NC(=NN4)[O-]

InChI

InChI=1S/C22H23N5O3S/c1-29-15-5-7-19(30-2)17(9-15)21-14(11-23-12-20-25-22(28)27-26-20)8-13-4-6-16(31-3)10-18(13)24-21/h4-10,23H,11-12H2,1-3H3,(H2,25,26,27,28)/p-1