3-[(2,5-dimethylphenoxy)methyl]-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(2,5-dimethylphenoxy)methyl]-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2,5-dimethylphenoxy)methyl]-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenoxy)methyl]-5-(2-phenoxyethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenoxy)methyl]-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2,5-dimethylphenoxy)methyl]-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NN=C(N2CC=C)SCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NN=C(N2CC=C)SCCOC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-4-12-25-21(16-27-20-15-17(2)10-11-18(20)3)23-24-22(25)28-14-13-26-19-8-6-5-7-9-19/h4-11,15H,1,12-14,16H2,2-3H3