3-[(2-chlorophenyl)methyl]-4-hexyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2-chlorophenyl)methyl]-4-hexyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chlorophenyl)methyl]-4-hexyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-chlorophenyl)methyl]-4-hexyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chlorophenyl)methyl]-4-hexyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-chlorobenzyl)-4-hexyl-1H-1,2,4-triazole-5-thione Formula: C15H20ClN3S MolecularWeight: 309.8574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NNC1=S)CC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCN1C(=NNC1=S)CC2=CC=CC=C2Cl

InChI

InChI=1S/C15H20ClN3S/c1-2-3-4-7-10-19-14(17-18-15(19)20)11-12-8-5-6-9-13(12)16/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,18,20)