3-[3-(4-chloranylphenoxy)propylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[3-(4-chloranylphenoxy)propylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[3-(4-chlorophenoxy)propylsulfanyl]-5-(2-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[3-(4-chlorophenoxy)propylthio]-5-(2-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[3-(4-chlorophenoxy)propylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[3-(4-chlorophenoxy)propylthio]-5-(2-furyl)-4-phenyl-1,2,4-triazole Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCCOC3=CC=C(C=C3)Cl)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCOC3=CC=C(C=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C21H18ClN3O2S/c22-16-9-11-18(12-10-16)26-14-5-15-28-21-24-23-20(19-8-4-13-27-19)25(21)17-6-2-1-3-7-17/h1-4,6-13H,5,14-15H2