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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-methyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-methyl-4-phenyl-1,2,4-triazole Formula: C17H16BrN3OS MolecularWeight: 390.29744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C17H16BrN3OS/c1-12-19-20-17(21(12)14-6-4-3-5-7-14)23-11-13-8-9-16(22-2)15(18)10-13/h3-10H,11H2,1-2H3