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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-[(4-butoxyphenyl)methyl]-4-methyl-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-[(4-butoxyphenyl)methyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-[(4-butoxyphenyl)methyl]-4-methyl-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-[(4-butoxyphenyl)methyl]-4-methyl-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-(4-butoxybenzyl)-4-methyl-1,2,4-triazole Formula: C22H26BrN3O2S MolecularWeight: 476.42974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=NN=C(N2C)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=NN=C(N2C)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C22H26BrN3O2S/c1-4-5-12-28-18-9-6-16(7-10-18)14-21-24-25-22(26(21)2)29-15-17-8-11-20(27-3)19(23)13-17/h6-11,13H,4-5,12,14-15H2,1-3H3