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

Systemtic Name: 3-[(4-methoxyphenoxy)methyl]-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-methoxyphenoxy)methyl]-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(4-methoxyphenoxy)methyl]-5-(2-phenoxyethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-methoxyphenoxy)methyl]-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-methoxyphenoxy)methyl]-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCCOC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCCOC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-3-13-24-20(16-27-19-11-9-17(25-2)10-12-19)22-23-21(24)28-15-14-26-18-7-5-4-6-8-18/h3-12H,1,13-16H2,2H3