3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-cyclopropyl-5-(2-thenyl)-1,2,4-triazole Formula: C18H16BrN3O2S2 MolecularWeight: 450.37254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC4=C(C=C3Br)OCO4)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC4=C(C=C3Br)OCO4)CC5=CC=CS5

InChI

InChI=1S/C18H16BrN3O2S2/c19-14-8-16-15(23-10-24-16)6-11(14)9-26-18-21-20-17(22(18)12-3-4-12)7-13-2-1-5-25-13/h1-2,5-6,8,12H,3-4,7,9-10H2