3-(3-chlorophenyl)-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(3-chlorophenyl)-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(3-chlorophenyl)-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3-chlorophenyl)-4-methyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(3-chlorophenyl)-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(3-chlorophenyl)-4-methyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C13H11ClN6O2S MolecularWeight: 350.78344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C13H11ClN6O2S/c1-18-12(9-3-2-4-10(14)5-9)16-17-13(18)23-8-19-7-11(6-15-19)20(21)22/h2-7H,8H2,1H3