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

Systemtic Name: 4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-5-propyl-1,2,4-triazole Openeye Name: 4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-5-propyl-1,2,4-triazole CAS Name: 4-ethyl-3-[(3-nitrophenyl)methylthio]-5-propyl-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-5-propyl-1,2,4-triazole Traditional Name: 4-ethyl-3-[(3-nitrobenzyl)thio]-5-propyl-1,2,4-triazole Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1CC)SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O2S/c1-3-6-13-15-16-14(17(13)4-2)21-10-11-7-5-8-12(9-11)18(19)20/h5,7-9H,3-4,6,10H2,1-2H3