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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-methyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-methyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(3-bromo-4-methoxy-benzyl)thio]-5-methyl-1,2,4-triazole Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C18H18BrN3OS/c1-13-20-21-18(22(13)11-14-6-4-3-5-7-14)24-12-15-8-9-17(23-2)16(19)10-15/h3-10H,11-12H2,1-2H3