3-[(3-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole Formula: C21H15BrClN3S MolecularWeight: 456.7859

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Br)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H15BrClN3S/c22-17-6-4-5-15(13-17)14-27-21-25-24-20(16-9-11-18(23)12-10-16)26(21)19-7-2-1-3-8-19/h1-13H,14H2