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

Systemtic Name: 4-butyl-3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C14H16ClN3O3S/c1-2-3-4-18-13(19)16-17-14(18)22-7-9-5-10(15)12-11(6-9)20-8-21-12/h5-6H,2-4,7-8H2,1H3,(H,16,19)