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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC)C

InChI

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