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

Systemtic Name: 3-[(5-chloranyl-2-ethoxy-phenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(5-chloro-2-ethoxy-phenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(5-chloro-2-ethoxyphenyl)methylthio]-5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2-ethoxyphenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(5-chloro-2-ethoxy-benzyl)thio]-4-phenyl-5-p-phenetyl-1,2,4-triazole Formula: C25H24ClN3O2S MolecularWeight: 465.99496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)Cl)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)Cl)OCC

InChI

InChI=1S/C25H24ClN3O2S/c1-3-30-22-13-10-18(11-14-22)24-27-28-25(29(24)21-8-6-5-7-9-21)32-17-19-16-20(26)12-15-23(19)31-4-2/h5-16H,3-4,17H2,1-2H3