5,6-diethyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazine

Systemtic Name: 5,6-diethyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazine Openeye Name: 5,6-diethyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazine CAS Name: 5,6-diethyl-3-[(4-nitrophenyl)methylthio]-1,2,4-triazine IUPAC Name: 5,6-diethyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazine Traditional Name: 5,6-diethyl-3-[(4-nitrobenzyl)thio]-1,2,4-triazine Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NC(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])CC

Isomeric SMILES

CCC1=C(N=NC(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])CC

InChI

InChI=1S/C14H16N4O2S/c1-3-12-13(4-2)16-17-14(15-12)21-9-10-5-7-11(8-6-10)18(19)20/h5-8H,3-4,9H2,1-2H3