3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-4-methyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-bromo-2,5-dimethoxy-benzyl)thio]-4-methyl-5-(2-thenyl)-1,2,4-triazole Formula: C17H18BrN3O2S2 MolecularWeight: 440.37772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=C(C=C2OC)Br)OC)CC3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=C(C=C2OC)Br)OC)CC3=CC=CS3

InChI

InChI=1S/C17H18BrN3O2S2/c1-21-16(8-12-5-4-6-24-12)19-20-17(21)25-10-11-7-15(23-3)13(18)9-14(11)22-2/h4-7,9H,8,10H2,1-3H3