5-(4-pentylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-pentylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione Openeye Name: 5-(4-pentylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione CAS Name: 5-(4-pentylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione IUPAC Name: 5-(4-pentylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione Traditional Name: 5-(4-amylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione Formula: C13H17N3S MolecularWeight: 247.35918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC(=S)NN2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC(=S)NN2

InChI

InChI=1S/C13H17N3S/c1-2-3-4-5-10-6-8-11(9-7-10)12-14-13(17)16-15-12/h6-9H,2-5H2,1H3,(H2,14,15,16,17)