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

Systemtic Name: 3-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazole Openeye Name: 3-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole CAS Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylthio]-5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(2-bromo-4,5-diethoxy-benzyl)thio]-5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole Formula: C20H21BrClN3O3S MolecularWeight: 498.82104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC)Br)OCC

InChI

InChI=1S/C20H21BrClN3O3S/c1-4-27-17-8-12(15(21)10-18(17)28-5-2)11-29-20-23-19(24-25-20)14-9-13(22)6-7-16(14)26-3/h6-10H,4-5,11H2,1-3H3,(H,23,24,25)