3-butylsulfanyl-4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazole

Systemtic Name: 3-butylsulfanyl-4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazole Openeye Name: 3-butylsulfanyl-4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-(butylthio)-4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazole IUPAC Name: 3-butylsulfanyl-4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazole Traditional Name: 3-(butylthio)-4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazole Formula: C17H25N3OS MolecularWeight: 319.4649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1CC)COC2=CC=C(C=C2)CC

Isomeric SMILES

CCCCSC1=NN=C(N1CC)COC2=CC=C(C=C2)CC

InChI

InChI=1S/C17H25N3OS/c1-4-7-12-22-17-19-18-16(20(17)6-3)13-21-15-10-8-14(5-2)9-11-15/h8-11H,4-7,12-13H2,1-3H3