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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Cl)CSC2=NNC(=N2)C3=CC=CC=C3OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Cl)CSC2=NNC(=N2)C3=CC=CC=C3OCCC

InChI

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