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

Systemtic Name: 2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-5-(4-fluorophenyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[(4-ethoxybenzyl)-methyl-amino]methyl]-5-(4-fluorophenyl)-1,2,4-triazole-3-thione Formula: C22H25FN4OS MolecularWeight: 412.523503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)F)CC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)F)CC=C

InChI

InChI=1S/C22H25FN4OS/c1-4-14-26-21(18-8-10-19(23)11-9-18)24-27(22(26)29)16-25(3)15-17-6-12-20(13-7-17)28-5-2/h4,6-13H,1,5,14-16H2,2-3H3