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

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole Formula: C17H14BrN3O2S2 MolecularWeight: 436.34596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC4=C(C=C3Br)OCO4)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC4=C(C=C3Br)OCO4)C5=CC=CS5

InChI

InChI=1S/C17H14BrN3O2S2/c18-12-7-14-13(22-9-23-14)6-10(12)8-25-17-20-19-16(15-2-1-5-24-15)21(17)11-3-4-11/h1-2,5-7,11H,3-4,8-9H2