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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-1,2,4-triazole Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=CN3C4=CC=CC=C4)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=CN3C4=CC=CC=C4)Cl

InChI

InChI=1S/C17H14ClN3O2S/c18-14-6-12-8-22-11-23-16(12)13(7-14)9-24-17-20-19-10-21(17)15-4-2-1-3-5-15/h1-7,10H,8-9,11H2