3-butylsulfanyl-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-butylsulfanyl-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-butylsulfanyl-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(butylthio)-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-butylsulfanyl-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-(butylthio)-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C15H21N3OS MolecularWeight: 291.41174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3OS/c1-4-6-11-20-15-17-16-14(18(15)5-2)12-7-9-13(19-3)10-8-12/h7-10H,4-6,11H2,1-3H3