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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4,5-bis(4-chlorophenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4,5-bis(4-chlorophenyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4,5-bis(4-chlorophenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4,5-bis(4-chlorophenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4,5-bis(4-chlorophenyl)-1,2,4-triazole Formula: C21H14BrCl2N3S MolecularWeight: 491.23096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C21H14BrCl2N3S/c22-16-5-1-14(2-6-16)13-28-21-26-25-20(15-3-7-17(23)8-4-15)27(21)19-11-9-18(24)10-12-19/h1-12H,13H2