2-[[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[(4,5-dimethoxy-2-methyl-benzyl)-methyl-amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN(C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN(C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C)OC)OC

InChI

InChI=1S/C22H27N5O2S/c1-6-10-26-21(17-8-7-9-23-13-17)24-27(22(26)30)15-25(3)14-18-12-20(29-5)19(28-4)11-16(18)2/h6-9,11-13H,1,10,14-15H2,2-5H3