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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole Formula: C26H24ClN3O3S MolecularWeight: 494.00506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC4=C5C(=CC(=C4)Cl)COCO5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC4=C5C(=CC(=C4)Cl)COCO5

InChI

InChI=1S/C26H24ClN3O3S/c1-31-23-9-7-19(8-10-23)25-28-29-26(30(25)12-11-18-5-3-2-4-6-18)34-16-21-14-22(27)13-20-15-32-17-33-24(20)21/h2-10,13-14H,11-12,15-17H2,1H3