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

Systemtic Name: 3-[(5-chloranyl-2-ethoxy-phenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(5-chloro-2-ethoxy-phenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(5-chloro-2-ethoxyphenyl)methylthio]-5-(2-ethoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2-ethoxyphenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(5-chloro-2-ethoxy-benzyl)thio]-5-o-phenetyl-1H-1,2,4-triazole Formula: C19H20ClN3O2S MolecularWeight: 389.899

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)CSC2=NNC(=N2)C3=CC=CC=C3OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)CSC2=NNC(=N2)C3=CC=CC=C3OCC

InChI

InChI=1S/C19H20ClN3O2S/c1-3-24-16-10-9-14(20)11-13(16)12-26-19-21-18(22-23-19)15-7-5-6-8-17(15)25-4-2/h5-11H,3-4,12H2,1-2H3,(H,21,22,23)