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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

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