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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(5-chloranyl-1-benzofuran-2-yl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(5-chlorobenzofuran-2-yl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(5-chloro-2-benzofuranyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(5-chloro-1-benzofuran-2-yl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(5-chlorobenzofuran-2-yl)-4-methyl-1,2,4-triazole Formula: C18H13BrClN3OS MolecularWeight: 434.73732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C18H13BrClN3OS/c1-23-17(16-9-12-8-14(20)6-7-15(12)24-16)21-22-18(23)25-10-11-2-4-13(19)5-3-11/h2-9H,10H2,1H3