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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(5-chloranyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-(5-chlorobenzofuran-2-yl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(5-chloro-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(5-chloro-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-(5-chlorobenzofuran-2-yl)-1,2,4-triazole Formula: C20H15BrClN3OS MolecularWeight: 460.7746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrClN3OS/c1-2-9-25-19(18-11-14-10-16(22)7-8-17(14)26-18)23-24-20(25)27-12-13-3-5-15(21)6-4-13/h2-8,10-11H,1,9,12H2