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

Systemtic Name: 3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-methyl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-methyl-1,2,4-triazole CAS Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-4-cyclopropyl-5-methyl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-4-cyclopropyl-5-methyl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2,5-dimethoxy-benzyl)thio]-4-cyclopropyl-5-methyl-1,2,4-triazole Formula: C15H18BrN3O2S MolecularWeight: 384.29132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC3=CC(=C(C=C3OC)Br)OC

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC3=CC(=C(C=C3OC)Br)OC

InChI

InChI=1S/C15H18BrN3O2S/c1-9-17-18-15(19(9)11-4-5-11)22-8-10-6-14(21-3)12(16)7-13(10)20-2/h6-7,11H,4-5,8H2,1-3H3