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

Systemtic Name: 3,4-bis(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3,4-bis(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3,4-bis(4-chlorophenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3,4-bis(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3,4-bis(4-chlorophenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C21H14Cl2N4O2S MolecularWeight: 457.33246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14Cl2N4O2S/c22-16-5-3-15(4-6-16)20-24-25-21(26(20)18-11-7-17(23)8-12-18)30-13-14-1-9-19(10-2-14)27(28)29/h1-12H,13H2