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

Systemtic Name: 3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-5-cyclopropyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2,5-dimethoxy-benzyl)thio]-5-cyclopropyl-4-phenyl-1,2,4-triazole Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)OC)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-25-17-11-16(21)18(26-2)10-14(17)12-27-20-23-22-19(13-8-9-13)24(20)15-6-4-3-5-7-15/h3-7,10-11,13H,8-9,12H2,1-2H3