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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=C3C(=CC(=C2)Cl)COCO3)C4=CC=CC=C4

InChI

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