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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-ethyl-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-ethyl-5-phenyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-ethyl-5-phenyl-1,2,4-triazole Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O2S/c1-2-23-18(13-6-4-3-5-7-13)21-22-19(23)26-11-15-9-16(20)8-14-10-24-12-25-17(14)15/h3-9H,2,10-12H2,1H3