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

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C13H12ClN3O3S MolecularWeight: 325.77068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C13H12ClN3O3S/c14-9-3-7(4-10-11(9)20-6-19-10)5-21-13-16-15-12(18)17(13)8-1-2-8/h3-4,8H,1-2,5-6H2,(H,15,18)