3-(4-tert-butylphenyl)-4-(3-chloranyl-4-methoxy-phenyl)-5-ethylsulfanyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(3-chloranyl-4-methoxy-phenyl)-5-ethylsulfanyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxy-phenyl)-5-ethylsulfanyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxyphenyl)-5-(ethylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxyphenyl)-5-ethylsulfanyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxy-phenyl)-5-(ethylthio)-1,2,4-triazole Formula: C21H24ClN3OS MolecularWeight: 401.95276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCSC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H24ClN3OS/c1-6-27-20-24-23-19(14-7-9-15(10-8-14)21(2,3)4)25(20)16-11-12-18(26-5)17(22)13-16/h7-13H,6H2,1-5H3