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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C26H26BrN3O2S MolecularWeight: 524.47254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C26H26BrN3O2S/c1-3-4-16-32-22-13-11-20(12-14-22)25-28-29-26(30(25)21-8-6-5-7-9-21)33-18-19-10-15-24(31-2)23(27)17-19/h5-15,17H,3-4,16,18H2,1-2H3