3-[(4-chlorophenyl)methylsulfanyl]-5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-chlorophenyl)methylsulfanyl]-5-[(2-ethoxy-4-methyl-phenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-chlorobenzyl)thio]-5-[(2-ethoxy-4-methyl-phenoxy)methyl]-1,2,4-triazole Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3O2S/c1-4-12-26-21(14-28-19-11-6-16(3)13-20(19)27-5-2)24-25-22(26)29-15-17-7-9-18(23)10-8-17/h4,6-11,13H,1,5,12,14-15H2,2-3H3