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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C18H16ClN3O2S/c1-11-2-4-12(5-3-11)17-20-18(22-21-17)25-9-14-7-15(19)6-13-8-23-10-24-16(13)14/h2-7H,8-10H2,1H3,(H,20,21,22)