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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-heptyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-heptyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-heptyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-heptyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(3-bromo-4-methoxy-benzyl)thio]-5-heptyl-1,2,4-triazole Formula: C24H30BrN3OS MolecularWeight: 488.4835

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCCCCCCC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C24H30BrN3OS/c1-3-4-5-6-10-13-23-26-27-24(28(23)17-19-11-8-7-9-12-19)30-18-20-14-15-22(29-2)21(25)16-20/h7-9,11-12,14-16H,3-6,10,13,17-18H2,1-2H3