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

Systemtic Name: 3-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-ethyl-5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O2S/c1-3-9-17-13(4-2)15-16-14(17)21-10-11-5-7-12(8-6-11)18(19)20/h3,5-8H,1,4,9-10H2,2H3