2-(azocan-1-ylmethyl)-5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 2-(azocan-1-ylmethyl)-5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-(azocan-1-ylmethyl)-5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-(1-azocanylmethyl)-5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-(azocan-1-ylmethyl)-5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-(azocan-1-ylmethyl)-5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCCCCCC2)COC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCCCCCC2)COC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H28N4O2S/c1-21-18(14-25-17-10-8-16(24-2)9-11-17)20-23(19(21)26)15-22-12-6-4-3-5-7-13-22/h8-11H,3-7,12-15H2,1-2H3