3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-(2-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-(2-furyl)-4-phenyl-1,2,4-triazole Formula: C20H14ClN3O3S MolecularWeight: 411.86146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5)Cl

InChI

InChI=1S/C20H14ClN3O3S/c21-15-10-18-17(26-12-27-18)9-13(15)11-28-20-23-22-19(16-7-4-8-25-16)24(20)14-5-2-1-3-6-14/h1-10H,11-12H2