3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4,5-dicyclopropyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4,5-dicyclopropyl-1,2,4-triazole Formula: C17H18ClN3O2S MolecularWeight: 363.86172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=C5C(=CC(=C4)Cl)COCO5

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=C5C(=CC(=C4)Cl)COCO5

InChI

InChI=1S/C17H18ClN3O2S/c18-13-5-11-7-22-9-23-15(11)12(6-13)8-24-17-20-19-16(10-1-2-10)21(17)14-3-4-14/h5-6,10,14H,1-4,7-9H2