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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(5-chloranyl-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(5-chlorobenzofuran-2-yl)-4-ethyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(5-chloro-2-benzofuranyl)-4-ethyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(5-chloro-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(5-chlorobenzofuran-2-yl)-4-ethyl-1,2,4-triazole Formula: C19H15BrClN3OS MolecularWeight: 448.7639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrClN3OS/c1-2-24-18(17-10-13-9-15(21)7-8-16(13)25-17)22-23-19(24)26-11-12-3-5-14(20)6-4-12/h3-10H,2,11H2,1H3