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

Systemtic Name: 3-(4-chlorophenyl)-4-ethyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-4-ethyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-4-ethyl-5-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-4-ethyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-4-ethyl-5-[(3-nitrobenzyl)thio]-1,2,4-triazole Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O2S/c1-2-21-16(13-6-8-14(18)9-7-13)19-20-17(21)25-11-12-4-3-5-15(10-12)22(23)24/h3-10H,2,11H2,1H3