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

Systemtic Name: 3-[(2-ethoxy-4-methyl-phenoxy)methyl]-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-ethoxy-4-methyl-phenoxy)methyl]-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(2-ethoxy-4-methylphenoxy)methyl]-5-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-ethoxy-4-methylphenoxy)methyl]-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-ethoxy-4-methyl-phenoxy)methyl]-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C23H27N3O2S MolecularWeight: 409.54438

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-5-13-26-22(15-28-20-12-9-18(4)14-21(20)27-6-2)24-25-23(26)29-16-19-10-7-17(3)8-11-19/h5,7-12,14H,1,6,13,15-16H2,2-4H3