2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-ethoxy-3-methoxy-benzyl)-methyl-amino]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H27N5O2S/c1-4-32-22-11-10-19(16-23(22)31-3)17-28(2)18-29-25(33)30(21-8-6-5-7-9-21)24(27-29)20-12-14-26-15-13-20/h5-16H,4,17-18H2,1-3H3