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

Systemtic Name: 2-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-5-(2-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[(3-fluorobenzyl)-methyl-amino]methyl]-5-(2-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C21H23FN4OS MolecularWeight: 398.496923

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)CC=C

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)CC=C

InChI

InChI=1S/C21H23FN4OS/c1-4-12-25-20(18-10-5-6-11-19(18)27-3)23-26(21(25)28)15-24(2)14-16-8-7-9-17(22)13-16/h4-11,13H,1,12,14-15H2,2-3H3