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

Systemtic Name: 5-(4-chlorophenyl)-3-hexylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-(4-chlorophenyl)-3-hexylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(4-chlorophenyl)-3-(hexylthio)-1H-1,2,4-triazole IUPAC Name: 5-(4-chlorophenyl)-3-hexylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-(4-chlorophenyl)-3-(hexylthio)-1H-1,2,4-triazole Formula: C14H18ClN3S MolecularWeight: 295.83082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NNC(=N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCSC1=NNC(=N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClN3S/c1-2-3-4-5-10-19-14-16-13(17-18-14)11-6-8-12(15)9-7-11/h6-9H,2-5,10H2,1H3,(H,16,17,18)