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

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-4-cyclopropyl-5-(2-thenyl)-1,2,4-triazole Formula: C19H20BrN3O2S2 MolecularWeight: 466.415

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NN=C(N2C3CC3)CC4=CC=CS4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NN=C(N2C3CC3)CC4=CC=CS4)Br)OC

InChI

InChI=1S/C19H20BrN3O2S2/c1-24-16-8-12(15(20)10-17(16)25-2)11-27-19-22-21-18(23(19)13-5-6-13)9-14-4-3-7-26-14/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3