5-[(4-tert-butylphenoxy)methyl]-4-pentyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-tert-butylphenoxy)methyl]-4-pentyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-tert-butylphenoxy)methyl]-4-pentyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-tert-butylphenoxy)methyl]-4-pentyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-tert-butylphenoxy)methyl]-4-pentyl-1,2,4-triazole-3-thiolate Traditional Name: 4-amyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazole-3-thiolate Formula: C18H26N3OS- MolecularWeight: 332.48354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NN=C1[S-])COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCN1C(=NN=C1[S-])COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H27N3OS/c1-5-6-7-12-21-16(19-20-17(21)23)13-22-15-10-8-14(9-11-15)18(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,20,23)/p-1