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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3)C4=C(OC=C4)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3)C4=C(OC=C4)C

InChI

InChI=1S/C18H18ClN3O3S/c1-3-22-17(15-4-5-24-11(15)2)20-21-18(22)26-9-13-7-14(19)6-12-8-23-10-25-16(12)13/h4-7H,3,8-10H2,1-2H3