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

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole Formula: C18H18BrN3O2S2 MolecularWeight: 452.38842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NN=C(N2C3CC3)C4=CC=CS4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NN=C(N2C3CC3)C4=CC=CS4)Br)OC

InChI

InChI=1S/C18H18BrN3O2S2/c1-23-14-8-11(13(19)9-15(14)24-2)10-26-18-21-20-17(16-4-3-7-25-16)22(18)12-5-6-12/h3-4,7-9,12H,5-6,10H2,1-2H3