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

Systemtic Name: 2-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[methyl(p-anisyl)amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5OS/c1-4-12-24-19(17-6-5-11-21-13-17)22-25(20(24)27)15-23(2)14-16-7-9-18(26-3)10-8-16/h4-11,13H,1,12,14-15H2,2-3H3