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

Systemtic Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-ethoxy-3-methoxy-benzyl)-methyl-amino]methyl]-4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN(C2=S)CN(C)CC3=CC(=C(C=C3)OCC)OC)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN(C2=S)CN(C)CC3=CC(=C(C=C3)OCC)OC)C4=CC=NC=C4

InChI

InChI=1S/C27H31N5O2S/c1-5-20-7-10-23(11-8-20)32-26(22-13-15-28-16-14-22)29-31(27(32)35)19-30(3)18-21-9-12-24(34-6-2)25(17-21)33-4/h7-17H,5-6,18-19H2,1-4H3