3-[(5-chloranyl-2-propoxy-phenyl)methylsulfanyl]-5-(4-propoxyphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(5-chloranyl-2-propoxy-phenyl)methylsulfanyl]-5-(4-propoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(5-chloro-2-propoxy-phenyl)methylsulfanyl]-5-(4-propoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(5-chloro-2-propoxyphenyl)methylthio]-5-(4-propoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2-propoxyphenyl)methylsulfanyl]-5-(4-propoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(5-chloro-2-propoxy-benzyl)thio]-5-(4-propoxyphenyl)-1H-1,2,4-triazole Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC(=C3)Cl)OCCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC(=C3)Cl)OCCC

InChI

InChI=1S/C21H24ClN3O2S/c1-3-11-26-18-8-5-15(6-9-18)20-23-21(25-24-20)28-14-16-13-17(22)7-10-19(16)27-12-4-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,24,25)