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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-5-(2-thienyl)-1,2,4-triazole Formula: C21H16ClN3O2S2 MolecularWeight: 441.95364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5)Cl

InChI

InChI=1S/C21H16ClN3O2S2/c22-16-9-14-11-26-13-27-19(14)15(10-16)12-29-21-24-23-20(18-7-4-8-28-18)25(21)17-5-2-1-3-6-17/h1-10H,11-13H2