4-ethyl-3-(3-methoxy-1-methyl-pyrazol-4-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(3-methoxy-1-methyl-pyrazol-4-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-(3-methoxy-1-methyl-pyrazol-4-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-(3-methoxy-1-methyl-4-pyrazolyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(3-methoxy-1-methylpyrazol-4-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-(3-methoxy-1-methyl-pyrazol-4-yl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CN(N=C3OC)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CN(N=C3OC)C

InChI

InChI=1S/C16H18N6O3S/c1-4-21-14(13-9-20(2)19-15(13)25-3)17-18-16(21)26-10-11-5-7-12(8-6-11)22(23)24/h5-9H,4,10H2,1-3H3