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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C26H26BrN3O2S/c1-18(2)32-22-12-9-19(10-13-22)16-25-28-29-26(30(25)21-7-5-4-6-8-21)33-17-20-11-14-24(31-3)23(27)15-20/h4-15,18H,16-17H2,1-3H3