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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(4-propoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(4-propoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-(4-propoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(4-propoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-(4-propoxyphenyl)-1H-1,2,4-triazole Formula: C19H20BrN3O2S MolecularWeight: 434.35

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C19H20BrN3O2S/c1-3-10-25-15-7-5-14(6-8-15)18-21-19(23-22-18)26-12-13-4-9-17(24-2)16(20)11-13/h4-9,11H,3,10,12H2,1-2H3,(H,21,22,23)