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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-[(4-methoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-3-(p-anisylthio)-1H-1,2,4-triazole Formula: C17H16ClN3O2S MolecularWeight: 361.84584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C17H16ClN3O2S/c1-22-13-6-3-11(4-7-13)10-24-17-19-16(20-21-17)14-9-12(18)5-8-15(14)23-2/h3-9H,10H2,1-2H3,(H,19,20,21)