3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C14H16ClN3O3S/c1-2-3-18-13(19)16-17-14(18)22-7-10-5-11(15)4-9-6-20-8-21-12(9)10/h4-5H,2-3,6-8H2,1H3,(H,16,19)