3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole CAS Name: 3-[(2,5-dimethoxyphenyl)methylthio]-5-(4-ethylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(2,5-dimethoxybenzyl)thio]-5-(4-ethylphenyl)-1H-1,2,4-triazole Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C19H21N3O2S/c1-4-13-5-7-14(8-6-13)18-20-19(22-21-18)25-12-15-11-16(23-2)9-10-17(15)24-3/h5-11H,4,12H2,1-3H3,(H,20,21,22)