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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C19H18ClN3O2S/c1-13-21-22-19(23(13)9-14-5-3-2-4-6-14)26-11-16-8-17(20)7-15-10-24-12-25-18(15)16/h2-8H,9-12H2,1H3