4-ethyl-3-[(3-methylphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[(3-methylphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-(m-tolylmethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(3-methylphenyl)methylthio]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(3-methylphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-[(3-methylbenzyl)thio]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC(=C2)C)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC(=C2)C)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H25N3O3S/c1-6-24-20(16-11-17(25-3)19(27-5)18(12-16)26-4)22-23-21(24)28-13-15-9-7-8-14(2)10-15/h7-12H,6,13H2,1-5H3