2-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(4-methoxyphenyl)-2-[[methyl(veratryl)amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H27N5O3S/c1-28(16-18-5-10-22(32-3)23(15-18)33-4)17-29-25(34)30(20-6-8-21(31-2)9-7-20)24(27-29)19-11-13-26-14-12-19/h5-15H,16-17H2,1-4H3