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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-(4-ethoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-p-phenetyl-1H-1,2,4-triazole Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C18H18BrN3O2S/c1-3-24-14-7-5-13(6-8-14)17-20-18(22-21-17)25-11-12-4-9-16(23-2)15(19)10-12/h4-10H,3,11H2,1-2H3,(H,20,21,22)