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

Systemtic Name: 5-[(2-methylphenoxy)methyl]-4-pentyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2-methylphenoxy)methyl]-4-pentyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(2-methylphenoxy)methyl]-4-pentyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2-methylphenoxy)methyl]-4-pentyl-1,2,4-triazole-3-thiolate Traditional Name: 4-amyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole-3-thiolate Formula: C15H20N3OS- MolecularWeight: 290.4038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NN=C1[S-])COC2=CC=CC=C2C

Isomeric SMILES

CCCCCN1C(=NN=C1[S-])COC2=CC=CC=C2C

InChI

InChI=1S/C15H21N3OS/c1-3-4-7-10-18-14(16-17-15(18)20)11-19-13-9-6-5-8-12(13)2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,17,20)/p-1