3-(5-chloranyl-1-benzofuran-2-yl)-4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(5-chloranyl-1-benzofuran-2-yl)-4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(5-chlorobenzofuran-2-yl)-4-ethyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(5-chloro-2-benzofuranyl)-4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(5-chloro-1-benzofuran-2-yl)-4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(5-chlorobenzofuran-2-yl)-4-ethyl-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C20H18ClN3OS/c1-3-24-19(18-11-15-10-16(21)8-9-17(15)25-18)22-23-20(24)26-12-14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3