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

Systemtic Name: 3-[5-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C16H19ClN4O3S MolecularWeight: 382.86506

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3)CCC(=O)N

InChI

InChI=1S/C16H19ClN4O3S/c1-2-21-14(4-3-13(18)22)19-20-16(21)25-8-11-6-12(17)5-10-7-23-9-24-15(10)11/h5-6H,2-4,7-9H2,1H3,(H2,18,22)