2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-ethoxy-3-methoxy-benzyl)-methyl-amino]methyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole-3-thione Formula: C21H25FN4O2S MolecularWeight: 416.512203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C)OC

InChI

InChI=1S/C21H25FN4O2S/c1-5-28-18-11-10-15(12-19(18)27-4)13-24(2)14-26-21(29)25(3)20(23-26)16-8-6-7-9-17(16)22/h6-12H,5,13-14H2,1-4H3