5-(5-chloranyl-2-methoxy-phenyl)-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-[2-(4-methoxyphenoxy)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-[2-(4-methoxyphenoxy)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-3-[2-(4-methoxyphenoxy)ethylthio]-1H-1,2,4-triazole Formula: C18H18ClN3O3S MolecularWeight: 391.87182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

COC1=CC=C(C=C1)OCCSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C18H18ClN3O3S/c1-23-13-4-6-14(7-5-13)25-9-10-26-18-20-17(21-22-18)15-11-12(19)3-8-16(15)24-2/h3-8,11H,9-10H2,1-2H3,(H,20,21,22)