3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5-cyclopropyl-1H-1,2,4-triazole IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5-cyclopropyl-1H-1,2,4-triazole Formula: C13H12ClN3O2S MolecularWeight: 309.77128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C13H12ClN3O2S/c14-9-3-7(4-10-11(9)19-6-18-10)5-20-13-15-12(16-17-13)8-1-2-8/h3-4,8H,1-2,5-6H2,(H,15,16,17)