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

Systemtic Name: 3-(2,4-dichlorophenyl)-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2,4-dichlorophenyl)-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2,4-dichlorophenyl)-4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(2,4-dichlorophenyl)-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2,4-dichlorophenyl)-4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C17H14Cl2N4O2S MolecularWeight: 409.28966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H14Cl2N4O2S/c1-2-22-16(14-8-5-12(18)9-15(14)19)20-21-17(22)26-10-11-3-6-13(7-4-11)23(24)25/h3-9H,2,10H2,1H3