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

Systemtic Name: 2-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(3-fluorobenzyl)-methyl-amino]methyl]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C21H25FN4OS MolecularWeight: 400.512803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN(C1=S)CN(C)CC2=CC(=CC=C2)F)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN(C1=S)CN(C)CC2=CC(=CC=C2)F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25FN4OS/c1-15(2)26-20(17-8-10-19(27-4)11-9-17)23-25(21(26)28)14-24(3)13-16-6-5-7-18(22)12-16/h5-12,15H,13-14H2,1-4H3