2-[[2-(4-methoxyphenoxy)ethyl-methyl-amino]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[2-(4-methoxyphenoxy)ethyl-methyl-amino]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-2-[[2-(4-methoxyphenoxy)ethyl-methyl-amino]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-2-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-2-[[2-(4-methoxyphenoxy)ethyl-methyl-amino]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(C)CCOC2=CC=C(C=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN(C1=S)CN(C)CCOC2=CC=C(C=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2S/c1-23(13-14-27-19-11-9-18(26-3)10-12-19)16-25-21(28)24(2)20(22-25)15-17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3