5-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1H-1,2,4-triazole Formula: C10H8ClN3O2S MolecularWeight: 269.70742

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC=NN3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC=NN3)Cl

InChI

InChI=1S/C10H8ClN3O2S/c11-7-2-9-8(15-5-16-9)1-6(7)3-17-10-12-4-13-14-10/h1-2,4H,3,5H2,(H,12,13,14)