3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCCOC3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N3O3S/c1-4-13-24-20(16-5-7-17(25-2)8-6-16)22-23-21(24)28-15-14-27-19-11-9-18(26-3)10-12-19/h4-12H,1,13-15H2,2-3H3