4-butyl-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-butyl-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione Formula: C12H14ClN3S MolecularWeight: 267.77766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H14ClN3S/c1-2-3-8-16-11(14-15-12(16)17)9-4-6-10(13)7-5-9/h4-7H,2-3,8H2,1H3,(H,15,17)