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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H22ClN3O3S/c1-13(2)25-20(14-4-6-18(26-3)7-5-14)23-24-21(25)29-11-16-9-17(22)8-15-10-27-12-28-19(15)16/h4-9,13H,10-12H2,1-3H3