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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

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