2-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C18H20N6O2S2 MolecularWeight: 416.5204

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C18H20N6O2S2/c1-4-23-16(11-27-17-19-12(2)9-13(3)20-17)21-22-18(23)28-10-14-5-7-15(8-6-14)24(25)26/h5-9H,4,10-11H2,1-3H3