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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-[(2,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-[(2,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-3-[(2,5-dimethoxybenzyl)thio]-1H-1,2,4-triazole Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O3S/c1-23-13-5-7-15(24-2)11(8-13)10-26-18-20-17(21-22-18)14-9-12(19)4-6-16(14)25-3/h4-9H,10H2,1-3H3,(H,20,21,22)