5-[(4-propylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-propylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-propylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-propylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-propylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-propylphenoxy)methyl]-1H-1,2,4-triazole-3-thiolate Formula: C12H14N3OS- MolecularWeight: 248.32406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC2=NC(=NN2)[S-]

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC2=NC(=NN2)[S-]

InChI

InChI=1S/C12H15N3OS/c1-2-3-9-4-6-10(7-5-9)16-8-11-13-12(17)15-14-11/h4-7H,2-3,8H2,1H3,(H2,13,14,15,17)/p-1