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

Systemtic Name: 3-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylthio]-1,2,4-triazole Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCCOC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCCOC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H25N3O2S/c1-5-12-25-21(18-7-6-16(2)17(3)15-18)23-24-22(25)28-14-13-27-20-10-8-19(26-4)9-11-20/h5-11,15H,1,12-14H2,2-4H3