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

Systemtic Name: 4-ethyl-3-(4-nitrophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-(4-nitrophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-(4-nitrophenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(4-nitrophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-[(4-nitrobenzyl)thio]-5-(4-nitrophenyl)-1,2,4-triazole Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O4S/c1-2-20-16(13-5-9-15(10-6-13)22(25)26)18-19-17(20)27-11-12-3-7-14(8-4-12)21(23)24/h3-10H,2,11H2,1H3