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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C19H18ClN3O3S/c1-23-18(12-3-5-16(24-2)6-4-12)21-22-19(23)27-10-14-8-15(20)7-13-9-25-11-26-17(13)14/h3-8H,9-11H2,1-2H3