4-phenyl-3-(2-propylsulfanylethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-phenyl-3-(2-propylsulfanylethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-phenyl-3-(2-propylsulfanylethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-phenyl-3-[2-(propylthio)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-phenyl-3-(2-propylsulfanylethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-phenyl-3-[2-(propylthio)ethyl]-1H-1,2,4-triazole-5-thione Formula: C13H17N3S2 MolecularWeight: 279.42418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSCCC1=NNC(=S)N1C2=CC=CC=C2

Isomeric SMILES

CCCSCCC1=NNC(=S)N1C2=CC=CC=C2

InChI

InChI=1S/C13H17N3S2/c1-2-9-18-10-8-12-14-15-13(17)16(12)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,17)