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

Systemtic Name: 3-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3-methoxy-1-methyl-4-pyrazolyl)-4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(3-methoxy-1-methylpyrazol-4-yl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C15H16N6O3S MolecularWeight: 360.39094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)OC)C2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)OC)C2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O3S/c1-19-8-12(14(18-19)24-3)13-16-17-15(20(13)2)25-9-10-4-6-11(7-5-10)21(22)23/h4-8H,9H2,1-3H3