5-(4-ethylphenyl)-3-[1-(4-fluorophenyl)ethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-ethylphenyl)-3-[1-(4-fluorophenyl)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-ethylphenyl)-3-[1-(4-fluorophenyl)ethylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(4-ethylphenyl)-3-[1-(4-fluorophenyl)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-ethylphenyl)-3-[1-(4-fluorophenyl)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-ethylphenyl)-3-[1-(4-fluorophenyl)ethylthio]-1H-1,2,4-triazole Formula: C18H18FN3S MolecularWeight: 327.419023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3S/c1-3-13-4-6-15(7-5-13)17-20-18(22-21-17)23-12(2)14-8-10-16(19)11-9-14/h4-12H,3H2,1-2H3,(H,20,21,22)