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

Systemtic Name: 3,4-diethyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3,4-diethyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3,4-diethyl-5-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3,4-diethyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3,4-diethyl-5-[(3-nitrobenzyl)thio]-1,2,4-triazole Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1CC)SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2S/c1-3-12-14-15-13(16(12)4-2)20-9-10-6-5-7-11(8-10)17(18)19/h5-8H,3-4,9H2,1-2H3