3-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Formula: C16H12Cl2N4O2S MolecularWeight: 395.26308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12Cl2N4O2S/c1-21-15(11-3-5-12(6-4-11)22(23)24)19-20-16(21)25-9-10-2-7-13(17)14(18)8-10/h2-8H,9H2,1H3