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

Systemtic Name: 4-ethyl-3-[(4-methylphenyl)methylsulfanyl]-5-(4-nitrophenyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-(4-nitrophenyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(4-methylphenyl)methylthio]-5-(4-nitrophenyl)-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(4-methylphenyl)methylsulfanyl]-5-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-[(4-methylbenzyl)thio]-5-(4-nitrophenyl)-1,2,4-triazole Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2S/c1-3-21-17(15-8-10-16(11-9-15)22(23)24)19-20-18(21)25-12-14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3