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

Systemtic Name: 4-(2,4-dimethylphenyl)-2-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2,4-dimethylphenyl)-2-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2,4-dimethylphenyl)-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2,4-dimethylphenyl)-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2,4-dimethylphenyl)-2-[[methyl(p-anisyl)amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN(C2=S)CN(C)CC3=CC=C(C=C3)OC)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN(C2=S)CN(C)CC3=CC=C(C=C3)OC)C4=CN=CC=C4)C

InChI

InChI=1S/C25H27N5OS/c1-18-7-12-23(19(2)14-18)30-24(21-6-5-13-26-15-21)27-29(25(30)32)17-28(3)16-20-8-10-22(31-4)11-9-20/h5-15H,16-17H2,1-4H3